Abstract
C18H14FN3OS, monoclinic, P21/c (no. 14), a = 14.9084(6) Å, b = 11.2339(4) Å, c = 9.4417(4) Å, β = 102.331(2)°, V = 1544.81(11) Å3, Z = 4, Rgt(F) = 0.0365, wRref(F2) = 0.0953, T = 100 K.
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Zeitschrift für Kristallographie - New Crystal Structures
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- Frontmatter
- Crystal structure of poly[aqua(μ-2,5-bis(4-pyridyl)-1,3,4-oxadiazole-κ,)(μ-1,3-phenylenediacetato-κ,′:′′)cobalt(II)], CHCoNO
- Crystal structure of 2-amino-7,7-dimethyl-5-oxo-4-(3-phenoxy-phenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- Crystal structure of (E)-4,4′-(diazene-1,2-diyl)bis(1-nitro-1H-1,2,4-triazol-5(4H)-one)—acetonitrile (1:1), CHNO
- Crystal structure of potassium ()-5-oxo-4-((5-oxo-1-1,2,4-triazol-4(5)-yl)diazenyl)-4,5-dihydro-1,2,4-triazol-1-ide – ()-4,4-diazene-1,2-diylbis(2,4-dihydro-3-1,2,4-triazol-3-one) – methanol (1/1/1), CHNKO
- Crystal structure of (,′-bis(2-(((2,6-diisopropylphenyl)imino)methyl)phenyl)benzene-1,2-diamido-κ,′,′′,′′′)oxidovanadium(IV), CHNOV
- Crystal structure of 5,5-bis(4-iodophenyl)-5-cyclopenta[2,1-:3,4-′]dipyridine, CHIN
- Crystal structure of aquadichloridobis(1-((2-methyl-1-imidazol-1-yl)methyl)-1-benotriazole-κN)mercury(II), CHClHgNO
- Crystal structure of 2-[4-(1-imidazol-1-yl)phenyl]-1-benzimidazol-3-ium [2-(carboxymethyl)phenyl]acetate monohydrate, CHNO
- Crystal structure of 4,4′-bipiperidinium dichloride 0.12 hydrate, CHNCl · 0.12 HO
- Crystal structure of catena-poly[tetraaqua(μ-4,4′()-ethene-1,2-diyldipyridine-κ:′)nickel(II)] bis(6-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxylate) pentahydrate, CHNONi
- Crystal structure of ethyl-5-amino-1-(2,4-dinitrophenyl)-1-pyrazole-4-carboxylate, CHNO
- Crystal structure of dicarbonyl(pyridin-2-olate-1-oxido-κ,′)rhodium(I), CHNORh
- Crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)thiourea, CHClNS
- Crystal structure of 2-((2-chloropyridin-3-ylamino)methylene)malononitrile, CHClN
- Crystal structure of tetraaquabis(μ-4-chlorobenzoato-κ:,′)bis(4-chlorobenzoato-κ)bis(1,10-phenanthroline-κ,′)distrontium(II), CHClNOSr
- Crystal structure of 3-hydroxy-3-phenyl-1,3-dihydro-2-indol-2-one, CHNO
- Crystal structures of bis(1,10-phenanthrolin-1-ium) aquapentakis(nitrato-κ,′)neodym(III) monohydrate, CHNNdO
- Crystal structure of 2-ethyl-1--butyl 3-oxo-2-[phenyl(-butoxycarbonylamino)methyl]-1,2-pyrrolidinedicarboxylate, CHNO
- Crystal structure of poly[diaquabis(μ-benzene-1,3,5-tricarboxylato-κ,κ:κ,κ:κ:κ)-bis(μ-4,4′-benzene-1,3-diylbis(4-1,2,4-triazole-κ:′)tricadmium(II)] tetrahydrate, CHCdNO
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- Crystal structure of catena-poly[(μ-5-(4-(tetrazol-1-id-5-yl)phenoxy)benzene-1,3-dicarboxyato-κ:′:)(4-(3-(pyridin-4-yl)propyl)pyridinium-κ)zinc(II)], CHZnNO
- Crystal structure of 3,6-di-2-pyridinyl-4-pyridazine carbonitrile, CHN
- Crystal structure of 5,5,9,13-tetramethyltetracyclo[10·2·1·0·0]pentadecane-3,7,14-triol, CHO
- Crystal structure of 2-amino-7-methyl-5-oxo-4-phenyl-4,5-pyrano[4,3-]pyran-3-carbonitrile, CHNO
- Crystal structure of the poly[(1,10-phenanthroline-κ,′)(μ-carboxylatophenoxyacetato-κ′:′′;′′′)lead(II)] monohydrate, CHNOPb
- Crystal structure of the poly[(μ-biphenyl-4,4′-dicarboxylato-κ:′:′′:′′′) bis(μ-8-(11-(oxysulfonyl)-4-silbenyl)-2-(oxysulfonyl)stilbene-κ:′:′′,′′′) bis(1,10-phenanthroline-k,′) dipraseodymium(III)], CHNOPrS
- Crystal structure of 3-iodo-5-methoxy-7-(methoxymethoxy)-4-(3-methoxyphenoxy)-2-chromen-2-one, CHIO
- Crystal structure of poly[(5-carboxy-2,6-dimethylpyridinium-3-carboxylato-κ)tris(μ-2,6-dimethylpyridinium-3,5-dicarboxylato-κ,′:′′)erbium(III)], CHErNO
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- Crystal structure of poly[(μ-2,2′-benzene-1,2-diyldiacetato-κ:′), (μ-1-(4-(1-imidazol-1-yl)benzyl)-1-1,2,4-triazole-κ:′)zinc(II)], CHNOZn
- Crystal structure of tetraaqua(μ-3-(3,5-dicarboxyphenoxy)benzene-1,2-dicarboxylato-κ:′)manganese(II) dihydrate, CHOMn
- Crystal structure of 4,4′-sulfonyldipyridine, CHNOS
- Crystal structure of 4-[()-(2-chloro-6-fluorobenzylidene)amino]-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one, CHClFNO
- Crystal structure of carbonyl(2-oxopyridin-1(2)-olato-κ, ′)(triphenylphosphine-κ)rhodium(I), CHNOPRh
- Crystal structure of diaquabis(2-(3-bromophenyl)-5-carboxy-1-imidazol-4-carboxylato-κ,) cobalt(II) trihydrate, CHBrCoNO
- Crystal structure of 4-(pyridin-4-ylmethylsulfonyl)pyridine, CHNOS
- Crystal structure of poly[(μ-1-methyl-1-tetrazole-5-thiolato-κ:::′)copper(I)], CHCuNS
- Crystal structure of poly[diaquabis(μ-4,4′-sulfinyldipyridine-κ,′)zinc(II)] diperchlorate dihydrate, CHNOSClZn
- Crystal structure of (1-((1-benzylpyrrolidin-2-yl-κ)methyl)-3-isopropyl-1-imidazol-2(3)-ylidene–κ)dibromidopalladium(II), CHBrNPd
- Crystal structure of pentacalcium tetranitridovanadate(V) mononitride based on a powder diffraction study, Ca[VN]N
- Crystal structure of ((1-((1-benzylpyrrolidin-2-yl)methyl)-3-ethyl-1-imidazol-2(3)-ylidene)-κ,)dichloridopalladium(II), CHClNPd
- Crystal structure of 9-allyl-4,5-dichloro-12-cyano-9,10-dihydro-9,10-ethanoanthracen-12-yl acetate, CHClNO
- Crystal structure of 4-bromo-2-(8-(3-ethoxy-2-hydroxyphenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenol, CHBrNO
- Crystal structure of 3--butyl-3-hydroxy-1,3-dihydro-2-pyrrolo[3,2-]pyridin-2-one, CHNO
- Crystal structure of diaquabis(3-(3,5-dibromophenyl)-5-(pyridin-2-yl)-1,2,4-triazol-4-ido-κ,′)nickel(II) mono hydrate, CHBrNNiO
- Crystal structure of 5-(adamantan-1-yl)-3-[(2-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, CHFNOS
- Crystal structure of 2-ethyl-1--butyl-2-((4-fluorophenyl)(-butoxycarbonylamino)methyl)-3-oxo-pyrrolidine-1,2-dicarboxylate, CHFNO
- Crystal structure of bis(μ-2-fluorobenzoato-κ::′) bis(μ-2-fluorobenzoato-κ:′)dinitrato-κ,′ bis(1,10-phenathroline-κ,′)diterbium(III), CHFNOTb
- Crystal structure of tetrabutylammonium 4-aminobenzenesulfonate 2/3 hydrate, CHNOS · 2/3 HO
- Crystal structure of tetraethylammonium 4-aminobenzenesulfonate, CHNOS
- Crystal structure of bis(guanidinium) 3,3′-oxybis(6-carboxybenzoate), CHNO
- Crystal structure of ′-(4-methoxybenzylidene)-5-phenyl-1-pyrazole-3-carbohydrazide, CHNO
- Crystal structure of ′-(4-nitrobenzylidene)-5-phenyl-1-pyrazole-3-carbohydrazide, CHNO
- Crystal structure of 5-((4-bromophenyl)(2-hydroxy-6-oxocyclohex-1-en-1-yl)methyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1,3)-dione, CHBrNO
- Crystal structure of 3-(((cyclohexyl(phenyl)methylidene)amino)oxy)-2-hydroxy--(propan-2-yl)propan-1-aminium chloride, CHClNO
- Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(phenyl)methyl)-1,3-dimethylpyrimidine-2,4(1,3)-dione, CHNO
- Crystal structure of 2-(4-(4-bromophenyl)thiazol-2-yl)isoindoline-1,3-dione, CHBrNOS
- Crystal structure of 2-(4-methylbenzoyl)pyrene, CHO
- Crystal structure of -(5-bromo-4-(-tolyl)thiazol-2-yl)-4-chlorobutanamide, CHBrClNOS
- Crystal structure of 4,5-diphenylthiazol-2-amine, CHNS
- Crystal structure of poly[bis(μ-4-(3-(pyridin-3-yl)-1-1,2,4-triazol-5-yl)benzoato-κ:,′)-lead(II)], CHONPb
- Crystal structure of ()-4-(4-oxopent-2-en-2-ylamino)benzenesulfonamide, CHNOS
- Crystal structure of poly[(μ-2-methyl-1-(4-(2-methyl-2-benzo[] imidazol-1(7a)-yl)butyl)-1-benzo[]imidazole-κ:′)bis(μ-5--butylbenzene-1,3-dicarboxylato-κ:,′:′′,′′′)dicadmium(II)] tetrahydrate, CHCdNO
- Crystal structure of catena-poly-[aqua(μ-4,4′-bipyridine-κ:′)bis(3′,5,5′-tricarboxybiphenyl-2-carboxylato-κ,′)cadmium(II)], CHNOCd
- Crystal structure of (2,3)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1-1,2,4-triazol-1-yl)pentan-3-ol, CHClNO
- Crystal structure of ′-(4-(dimethylamino)benzylidene)-5-phenyl-1-pyrazole-3-carbohydrazide, CHNO
- Crystal structure of 3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1pyrazole-1-carbothioamide, CHFNOS
- Crystal structure of -1-acetoxy-7,14-di-hydroxy-7,20-epoxykaur-16-en-15-one, CHO
- Crystal structure of 1,7-dihydroxy-11-acetoxy--7,20-epoxykaur-16-en-15-one, CHO
- Crystal structure of 7β,14β,15β-trihydroxy-1α-acetoxy-7α,20-epoxy--kaurane, CHO
- Crystal structure of -1β,7α,11α-trihydroxy-7β,20-epoxykaur-16-en-15-one, CHO
- Crystal structure of poly-[tetraaquabis(μ-benzene-1,2,4,5-tetracarboxylato-1κ:::2κ::::3κ:::)(di-μ-hydroxido)-pentazinc(II)] decahydrate, CHOZn
- Crystal structure of 1-(4-methylthiazol-2-yl)-3-propylthiourea, CHNS
- Crystal structure of 2-((dimethylamino)methylene)-5,5-Dimethylcyclohexane-1,3-dione, CHNO
- Crystal structure of poly[1,4-bis(2-methylbenzimidazol)butane-κ:′)bis(4,4′-oxybis(benzoato-κ,′:′′,′′′)dicadmium] monohydrate, CHCdNO
- Crystal structure of 2-(3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1-pyrazol-1-yl)-4-(4-chlorophenyl)thiazole, CHClFNOS
- Crystal structure of bis(μ-isophthalato-:′:′′)(μ-1,4-\ bis((2-propyl-1-benzo[]imidazol-1-yl)methyl)benzene-κ:′)dizinc(II), CHNOZn
- Crystal structure of poly[bis(adipate-κ,′:′′, ′′′)(1,4-bis(2-methyl-1-benzo[]imidazol-1-yl)benzene-κ:′)dizinc(II), CHNOZn
- Crystal structure of -(2-(2-oxoindolin-4-yl)ethyl)--propylpropan-1-aminium tetraphenylborate, CHBNO
- Crystal structure of 1-(2,3-dihydro-4-methyl-3-phenyl-2-thioxothiazol-5-yl)-1-ethanone, CHNOS
- Crystal structure of 3-(adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-[()-(2,6-difluorobenzylidene)amino]-1-1,2,4-triazole-5(4)-thione, CHFNS
- Crystal structure of 6-(4-chlorophenyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-][1,3,4]-thiadiazole, CHClNS
- Crystal structure of bis(ethanaminium) poly[bis(hexaselenido-,)palladate(II)], CHNPdSe
- Crystal structure of 2-(3-(benzofuran-2-yl)-5-phenyl-4,5-dihydro-1-pyrazol-1-yl)-4-phenylthiazole, CHNOS
- Crystal structure of -[bis(-5-hydroxyisophtalato-κ:′:′′)(-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ:′)dizinc(II)], CHNOZn
- Crystal structure of -[(μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ:′)-bis(μ-2,2′-(1,3-phenylene)diacetate-κ:′:′′:′′′)dizinc(II)], CHNOZn
- Crystal structure of 5,17-bis-cyano-25,26,27,28-tetrapropyloxy-calix[4]arene, CHNO
- Crystal structure of -[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ:′)-bis(μ-5-hydroxyisophthalate(2–)-κ,′:′′)dicadmium(II)] monohydrate, CHNOCd
- Crystal structure of -[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ:′)-bis(μ-4,4′-sulfonyldibenzoato-κ:′:′′:′′′)dicadmium(II)] monohydrate, CHNOCd
- Crystal structure of -[bis(μ-adipato-κ:′:′′:′′′)(μ-1,4-bis((2-ethyl-1-benzo[]imidazol-1-yl)methyl)benzene-κ:′)dizinc(II)], CHNOZn
- Crystal structure of (2-(2-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, CHClO
- Crystal structure of 2-(4-Bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, CHBrO
- Crystal structure of (2-(4-bromophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol, CHBrO
- Crystal structure of 3-((1,3,5,7-tetraoxo-6-(pyridin-3-ylmethyl)-3,3a,4,4a,5,6,7,7a,8,8a-decahydro-4,8-ethenopyrrolo[3,4-]isoindol-2(1)-yl)methyl)pyridin-1-ium-κ-trichloridocobalt(II) hemihydrate, CHClCoNO
- Crystal structure of 4-chloro-4′,6′-dichloro-2,2′-[propane-1,3-diyldioxybis(nitrilomethylidyne)]-diphenol, CHClNO
- Crystal structure of 2-amino-4-(3-trifluoromethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, CHFNO
- Crystal structure of bis(benzoato-κ)bis(4,4′-((1-1,2,4-triazol-1-yl)methylene)dibenzonitrile-κ)zinc(II), CHNOZn
- Crystal structure of 3-methyl-2-chromen-2-one, CHO
- Crystal structure of -[aqua-(2-carboxy-5-(3-carboxy-5-carboxylatophenoxy)benzoato-κ)(μ-4,4′-di(1-imidazol-1-yl)-1,1′-biphenyl-κ:′)cobalt(II)], CHNOCo
- Crystal structure of 4,4′-di(1-imidazol-1-yl)-1,1′-biphenyl, CHN
- Crystal structure of 1-(3-chloropropyl)piperidin-1-ium tetraphenylborate, CHBClN
- Crystal structure of dimethyl 5-(benzylamino)isophthalate, CHNO
- Crystal structure of dimethyl 5-(dibenzylamino)isophthalate, CHNO
- Crystal structure of -(adamantan-1-yl)-4-phenylpiperazine-1-carbothioamide, CHNS
- Crystal structure of (2,2′(cyclohexane-1,2-diylbis(nitrilo()methylylidene))diphenolato-κ,′,,′)dimethanolmanganese(III) bromide, CHBrMnNO
- Crystal structure of 3,5,7-tris(morpholinomethyl)tropolone·0.67 hydrate, CHNO·0.67HO
- Crystal structure of biphenyl-2,3′,5,5′-tetracarboxylic acid – 4,4′-biphenyl-4,4′-diyldipyridine (3/2), CHNO
Crystal structure of 3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1Hpyrazole-1-carbothioamide, C18H14FN3OS
Gamal A. El-Hiti
- Corresponding author
- Cornea Research Chair, Department of Optometry, College of Applied Medical Sciences, King Saud University, P. O. Box 10219, Riyadh 11433, Saudi Arabia
- Other articles by this author:
- De Gruyter OnlineGoogle Scholar
- Department of Chemistry, College of Science and Humanities, Shaqra University, Duwadimi, Saudi Arabia
- Applied Organic Chemistry Department, National Research Centre, Dokki, Giza, Egypt
- Other articles by this author:
- De Gruyter OnlineGoogle Scholar
- Department of Chemistry, College of Science and Humanities, Shaqra University, Duwadimi, Saudi Arabia
- Other articles by this author:
- De Gruyter OnlineGoogle Scholar
- Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P. O. Box 2457 - Riyadh 11451, Kingdom of Saudi Arabia
- Department of Medicinal Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura 35516, Egypt
- Other articles by this author:
- De Gruyter OnlineGoogle Scholar
- Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P. O. Box 2457 - Riyadh 11451, Kingdom of Saudi Arabia
- Other articles by this author:
- De Gruyter OnlineGoogle Scholar
Published Online: 2016-04-21 | DOI: https://doi.org/10.1515/ncrs-2015-0304
Open Access
This article offers supplementary material which is provided at the end of the article.
CCDC no.:: 1443915
Tables 1–3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Table 1
Data collection and handling.
Table 2
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
Table 3
Fractional coordinates and atomic displacement parameters (Å2).
Source of material
The title compound was synthesized from reaction of 1-(benzofuran-2-yl)-3-(4-fluorophenyl)prop-2-en-1-one with thiosemicarbazide in ethanolic sodium hydroxide under reflux for 12 h. The solid obtained on cooling was recrystallized from dimethylformamide to give colorless crystals of the title compound (Mp. 260–262 °C) [6].
Experimental details
Cell refinement and data reduction were carried out by Bruker SAINT [4]. The hydrogen atoms were placed on calculated positions with the help of the SHELX program (AFIX option 13, 23 and 43) [5]. The atoms O1/O7A und C7,H7/C1A,H1A are disordered and were split in the refinement in two parts with occupancy factors of 0.827(7) (O1, C7, H7) and 0.173(7) (O7A, C1A, H1A). The figure shows only one part for clarity.
Discussion
Pyrazolin-1-carbothioamide derivatives show some interesting biological activities such as antibacterial [1], antifungal [2] and anticancer properties [3].
In the title compound, the asymmetric unit contains one independent molecule. The central pyrazol ring (N1/N2/C9—C11) makes the dihedral angles of 15.28(2)° and 83.11(3)° with the benzofuran ring (O1/C1—C8) and the fluorophenyl ring (C12—C17), respectively. Consequently, the fluorophenyl ring is nearly perpendicular to the plane of whole molecule (cf. Figure). The structure shows at least two hydrogen bonds between N3—H2N3⋯F1i and N3—H1N3⋯S1ii with symmetry code: (i) x, y, z−1; (ii) x, −y+1/2, z−1/2.
Acknowledgements:
The authors extend their appreciation to the College of Applied Medical Sciences Research Centre and the Deanship of Scientific Research at King Saud University for their funding of this research.
References
- 1.
Rani, M.; Yusuf, M.; Khan, S. A.: Synthesis and in-vitro-antibacterial activity of [5-(furan-2-yl)-phenyl]-4,5-carbothioamide-pyrazolines. J. Saudi Chem. Soc. 16 (2012) 431–436. Web of ScienceGoogle Scholar
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About the article
Received: 2015-12-24
Accepted: 2016-03-30
Published Online: 2016-04-21
Published in Print: 2016-09-01
Citation Information: Zeitschrift für Kristallographie - New Crystal Structures, Volume 231, Issue 3, Pages 887–888, ISSN (Online) 2197-4578, ISSN (Print) 1433-7266, DOI: https://doi.org/10.1515/ncrs-2015-0304.
©2016 Gamal A. El-Hiti et al., published by De Gruyter.. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0
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- Frontmatter
- Crystal structure of poly[aqua(μ2-2,5-bis(4-pyridyl)-1,3,4-oxadiazole-κ2N,N)(μ2-1,3-phenylenediacetato-κ3O,O′:O′′)cobalt(II)], C22H18CoN4O6
- Crystal structure of 2-amino-7,7-dimethyl-5-oxo-4-(3-phenoxy-phenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- Crystal structure of (E)-4,4′-(diazene-1,2-diyl)bis(1-nitro-1H-1,2,4-triazol-5(4H)-one)—acetonitrile (1:1), C6H5N11O6
- Crystal structure of potassium (E)-5-oxo-4-((5-oxo-1H-1,2,4-triazol-4(5H)-yl)diazenyl)-4,5-dihydro-1,2,4-triazol-1-ide – (E)-4,4-diazene-1,2-diylbis(2,4-dihydro-3H-1,2,4-triazol-3-one) – methanol (1/1/1), C9H11N16KO5
- Crystal structure of (N,N′-bis(2-(((2,6-diisopropylphenyl)imino)methyl)phenyl)benzene-1,2-diamido-κ4O,O′,O′′,O′′′)oxidovanadium(IV), C44H48N4OV
- Crystal structure of 5,5-bis(4-iodophenyl)-5H-cyclopenta[2,1-b:3,4-b′]dipyridine, C23H14I2N2
- Crystal structure of aquadichloridobis(1-((2-methyl-1H-imidazol-1-yl)methyl)-1H-benotriazole-κN)mercury(II), C22H24Cl2HgN10O
- Crystal structure of 2-[4-(1H-imidazol-1-yl)phenyl]-1H-benzimidazol-3-ium [2-(carboxymethyl)phenyl]acetate monohydrate, C26H24N4O5
- Crystal structure of 4,4′-bipiperidinium dichloride 0.12 hydrate, C10H22N2Cl2 · 0.12 H2O
- Crystal structure of catena-poly[tetraaqua(μ2-4,4′(E)-ethene-1,2-diyldipyridine-κ2N:N′)nickel(II)] bis(6-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxylate) pentahydrate, C26H42N4O15Ni
- Crystal structure of ethyl-5-amino-1-(2,4-dinitrophenyl)-1H-pyrazole-4-carboxylate, C12H11N5O6
- Crystal structure of dicarbonyl(pyridin-2-olate-1-oxido-κ2O,O′)rhodium(I), C7H4NO4Rh
- Crystal structure of 1-(adamantan-1-yl)-3-(4-chlorophenyl)thiourea, C17H21ClN2S
- Crystal structure of 2-((2-chloropyridin-3-ylamino)methylene)malononitrile, C9H5ClN4
- Crystal structure of tetraaquabis(μ2-4-chlorobenzoato-κ2O:O,O′)bis(4-chlorobenzoato-κO)bis(1,10-phenanthroline-κ2N,N′)distrontium(II), C52H40Cl4N4O12Sr2
- Crystal structure of 3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one, C14H11NO2
- Crystal structures of bis(1,10-phenanthrolin-1-ium) aquapentakis(nitrato-κ2O,O′)neodym(III) monohydrate, C24H22N9NdO17
- Crystal structure of 2-ethyl-1-tert-butyl 3-oxo-2-[phenyl(tert-butoxycarbonylamino)methyl]-1,2-pyrrolidinedicarboxylate, C24H34N2O7
- Crystal structure of poly[diaquabis(μ4-benzene-1,3,5-tricarboxylato-κO1,κO2:κO3,κO4:κO5:κO6)-bis(μ2-4,4′-benzene-1,3-diylbis(4H-1,2,4-triazole-κ2N:N′)tricadmium(II)] tetrahydrate, C38H34Cd3N12O18
- Crystal structure of trans-dichlorido[1,3-bis(9-methyl-9H-fluoren-9-yl) benzimidazol-2-ylidene](pyridine)palladium(II) – a compound with anagostic CH–Pd interactions, C40H31Cl2N3Pd
- Crystal structure of catena-poly[(μ3-5-(4-(tetrazol-1-id-5-yl)phenoxy)benzene-1,3-dicarboxyato-κ3O:O′:N)(4-(3-(pyridin-4-yl)propyl)pyridinium-κN)zinc(II)], C28H22ZnN6O5
- Crystal structure of 3,6-di-2-pyridinyl-4-pyridazine carbonitrile, C15H9N5
- Crystal structure of 5,5,9,13-tetramethyltetracyclo[10·2·1·01,10·04,9]pentadecane-3,7,14-triol, C20H34O4
- Crystal structure of 2-amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H12N2O3
- Crystal structure of the poly[(1,10-phenanthroline-κ2N,N′)(μ3-carboxylatophenoxyacetato-κ4O,O′:O′′;O′′′)lead(II)] monohydrate, C21H16N2O6Pb
- Crystal structure of the poly[(μ4-biphenyl-4,4′-dicarboxylato-κ4O:O′:O′′:O′′′) bis(μ3-8-(11-(oxysulfonyl)-4-silbenyl)-2-(oxysulfonyl)stilbene-κ4O:O′:O′′,O′′′) bis(1,10-phenanthroline-k2N,N′) dipraseodymium(III)], C94H64N4O16Pr2S4
- Crystal structure of 3-iodo-5-methoxy-7-(methoxymethoxy)-4-(3-methoxyphenoxy)-2H-chromen-2-one, C19H17IO7
- Crystal structure of poly[(5-carboxy-2,6-dimethylpyridinium-3-carboxylato-κO)tris(μ2-2,6-dimethylpyridinium-3,5-dicarboxylato-κ3O,O′:O′′)erbium(III)], C36H33ErN4O16
- This molecule targets at type 2 diabetes - a single crystal study on (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl] tetrahydro-2H-pyran-3-amine (Omarigliptin), C17H20F2N4O3S
- Crystal structure of poly[(μ2-2,2′-benzene-1,2-diyldiacetato-κ2O:O′), (μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2N:N′)zinc(II)], C22H19N5O4Zn
- Crystal structure of tetraaqua(μ2-3-(3,5-dicarboxyphenoxy)benzene-1,2-dicarboxylato-κ2O:O′)manganese(II) dihydrate, C16H20O15Mn
- Crystal structure of 4,4′-sulfonyldipyridine, C10H8N2O2S
- Crystal structure of 4-[(E)-(2-chloro-6-fluorobenzylidene)amino]-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one, C18H15ClFN3O
- Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-κ2O, O′)(triphenylphosphine-κP)rhodium(I), C24H19NO3PRh
- Crystal structure of diaquabis(2-(3-bromophenyl)-5-carboxy-1H-imidazol-4-carboxylato-κ2O,N) cobalt(II) trihydrate, C22H22Br2CoN4O13
- Crystal structure of 4-(pyridin-4-ylmethylsulfonyl)pyridine, C11H10N2O2S
- Crystal structure of poly[(μ4-1-methyl-1H-tetrazole-5-thiolato-κ3S:S:N:N′)copper(I)], C2H3CuN4S
- Crystal structure of poly[diaquabis(μ2-4,4′-sulfinyldipyridine-κ2N,N′)zinc(II)] diperchlorate dihydrate, C20H24N4O14S2Cl2Zn
- Crystal structure of (1-((1-benzylpyrrolidin-2-yl-κN)methyl)-3-isopropyl-1H-imidazol-2(3H)-ylidene–κC)dibromidopalladium(II), C18H25Br2N3Pd
- Crystal structure of pentacalcium tetranitridovanadate(V) mononitride based on a powder diffraction study, Ca5[VN4]N
- Crystal structure of ((1-((1-benzylpyrrolidin-2-yl)methyl)-3-ethyl-1H-imidazol-2(3H)-ylidene)-κ2C,N)dichloridopalladium(II), C17H23Cl2N3Pd
- Crystal structure of 9-allyl-4,5-dichloro-12-cyano-9,10-dihydro-9,10-ethanoanthracen-12-yl acetate, C22H17Cl2NO2
- Crystal structure of 4-bromo-2-(8-(3-ethoxy-2-hydroxyphenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)phenol, C18H19BrN2O5
- Crystal structure of 3-tert-butyl-3-hydroxy-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one, C11H14N2O2
- Crystal structure of diaquabis(3-(3,5-dibromophenyl)-5-(pyridin-2-yl)-1,2,4-triazol-4-ido-κ2N,N′)nickel(II) mono hydrate, C26H20Br4N8NiO3
- Crystal structure of 5-(adamantan-1-yl)-3-[(2-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C20H22F3N3OS
- Crystal structure of 2-ethyl-1-tert-butyl-2-((4-fluorophenyl)(tert-butoxycarbonylamino)methyl)-3-oxo-pyrrolidine-1,2-dicarboxylate, C24H33FN2O7
- Crystal structure of bis(μ2-2-fluorobenzoato-κ2O:O:O′) bis(μ2-2-fluorobenzoato-κ2O:O′)dinitrato-κ2O,O′ bis(1,10-phenathroline-κ2N,N′)diterbium(III), C52H32F4N6O14Tb2
- Crystal structure of tetrabutylammonium 4-aminobenzenesulfonate 2/3 hydrate, C22H42N2O3S · 2/3 H2O
- Crystal structure of tetraethylammonium 4-aminobenzenesulfonate, C14H26N2O3S
- Crystal structure of bis(guanidinium) 3,3′-oxybis(6-carboxybenzoate), C18H20N6O9
- Crystal structure of N′-(4-methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C18H16N4O2
- Crystal structure of N′-(4-nitrobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C17H13N5O3
- Crystal structure of 5-((4-bromophenyl)(2-hydroxy-6-oxocyclohex-1-en-1-yl)methyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H19BrN2O5
- Crystal structure of 3-(((cyclohexyl(phenyl)methylidene)amino)oxy)-2-hydroxy-N-(propan-2-yl)propan-1-aminium chloride, C19H31ClN2O2
- Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(phenyl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H20N2O5
- Crystal structure of 2-(4-(4-bromophenyl)thiazol-2-yl)isoindoline-1,3-dione, C17H9BrN2O2S
- Crystal structure of 2-(4-methylbenzoyl)pyrene, C24H16O
- Crystal structure of N-(5-bromo-4-(p-tolyl)thiazol-2-yl)-4-chlorobutanamide, C14H14BrClN2OS
- Crystal structure of 4,5-diphenylthiazol-2-amine, C15H12N2S
- Crystal structure of poly[bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ3N:O,O′)-lead(II)], C28H18O4N8Pb
- Crystal structure of (Z)-4-(4-oxopent-2-en-2-ylamino)benzenesulfonamide, C11H14N2O3S
- Crystal structure of poly[(μ2-2-methyl-1-(4-(2-methyl-2H-benzo[d] imidazol-1(7aH)-yl)butyl)-1H-benzo[d]imidazole-κ2N:N′)bis(μ3-5-tert-butylbenzene-1,3-dicarboxylato-κ4O:O,O′:O′′,O′′′)dicadmium(II)] tetrahydrate, C44H54Cd2N4O12
- Crystal structure of catena-poly-[aqua(μ2-4,4′-bipyridine-κ2N:N′)bis(3′,5,5′-tricarboxybiphenyl-2-carboxylato-κ2O,O′)cadmium(II)], C42H28N2O17Cd
- Crystal structure of (2RS,3RS)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol, C15H20ClN3O
- Crystal structure of N′-(4-(dimethylamino)benzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C19H19N5O
- Crystal structure of 3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1Hpyrazole-1-carbothioamide, C18H14FN3OS
- Crystal structure of ent-1β-acetoxy-7α,14α-di-hydroxy-7β,20-epoxykaur-16-en-15-one, C22H30O6
- Crystal structure of 1α,7β-dihydroxy-11β-acetoxy-ent-7β,20-epoxykaur-16-en-15-one, C22H30O6
- Crystal structure of 7β,14β,15β-trihydroxy-1α-acetoxy-7α,20-epoxy-ent-kaurane, C22H32O6
- Crystal structure of ent-1β,7α,11α-trihydroxy-7β,20-epoxykaur-16-en-15-one, C20H28O5
- Crystal structure of poly-[tetraaquabis(μ8-benzene-1,2,4,5-tetracarboxylato-1κ3O4:O6:O8:2κ4O2:O2:O5:O5:3κ4O1:O3:O5:O7)(di-μ3-hydroxido)-pentazinc(II)] decahydrate, C20H34O32Zn5
- Crystal structure of 1-(4-methylthiazol-2-yl)-3-propylthiourea, C8H13N3S2
- Crystal structure of 2-((dimethylamino)methylene)-5,5-Dimethylcyclohexane-1,3-dione, C11H17NO2
- Crystal structure of poly[1,4-bis(2-methylbenzimidazol)butane-κ2N:N′)bis(4,4′-oxybis(benzoato-κ4O,O′:O′′,O′′′)dicadmium] monohydrate, C48H38Cd2N4O10
- Crystal structure of 2-(3-(benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-(4-chlorophenyl)thiazole, C26H17ClFN3OS
- Crystal structure of bis(μ3-isophthalato-κ3O:O′:O′′)(μ2-1,4-\ bis((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)dizinc(II), C22H19N2O4Zn
- Crystal structure of poly[bis(adipate-κ4O,O′:O′′, O′′′)(1,4-bis(2-methyl-1H-benzo[d]imidazol-1-yl)benzene-κ2N:N′)dizinc(II), C36H38N4O8Zn2
- Crystal structure of N-(2-(2-oxoindolin-4-yl)ethyl)-N-propylpropan-1-aminium tetraphenylborate, C40H45BN2O
- Crystal structure of 1-(2,3-dihydro-4-methyl-3-phenyl-2-thioxothiazol-5-yl)-1-ethanone, C12H11NOS2
- Crystal structure of 3-(adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-[(E)-(2,6-difluorobenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione, C31H36F2N6S
- Crystal structure of 6-(4-chlorophenyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazole, C13H7ClN4S2
- Crystal structure of bis(ethanaminium) poly[bis(hexaselenido-κ2Se1,Se6)palladate(II)], C4H16N2PdSe12
- Crystal structure of 2-(3-(benzofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-phenylthiazole, C26H19N3OS
- Crystal structure of poly-[bis(μ3-5-hydroxyisophtalato-κ3O:O′:O′′)(μ2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)dizinc(II)], C40H30N4O5Zn2
- Crystal structure of poly-[(μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)-bis(μ4-2,2′-(1,3-phenylene)diacetate-κ4O:O′:O′′:O′′′)dizinc(II)], C44H38N4O8Zn2
- Crystal structure of 5,17-bis-cyano-25,26,27,28-tetrapropyloxy-calix[4]arene, C42H46N2O4
- Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)-bis(μ3-5-hydroxyisophthalate(2–)-κ3O,O′:O′′)dicadmium(II)] monohydrate, C64H54N8O11Cd2
- Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2N:N′)-bis(μ4-4,4′-sulfonyldibenzoato-κ4O:O′:O′′:O′′′)dicadmium(II)] monohydrate, C52H42N4O14Cd2
- Crystal structure of poly-[bis(μ4-adipato-κ4O:O′:O′′:O′′′)(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2N:N′)dizinc(II)], C38H42N4O8Zn2
- Crystal structure of (2-(2-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3
- Crystal structure of 2-(4-Bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
- Crystal structure of (2-(4-bromophenyl)-5-ethyl-1,3-dioxan-5-yl)methanol, C13H17BrO3
- Crystal structure of 3-((1,3,5,7-tetraoxo-6-(pyridin-3-ylmethyl)-3,3a,4,4a,5,6,7,7a,8,8a-decahydro-4,8-ethenopyrrolo[3,4-f]isoindol-2(1H)-yl)methyl)pyridin-1-ium-κN-trichloridocobalt(II) hemihydrate, C24H22Cl3CoN4O4.5
- Crystal structure of 4-chloro-4′,6′-dichloro-2,2′-[propane-1,3-diyldioxybis(nitrilomethylidyne)]-diphenol, C17H14Cl3N2O4
- Crystal structure of 2-amino-4-(3-trifluoromethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C17H13F3N2O2
- Crystal structure of bis(benzoato-κO)bis(4,4′-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile-κN)zinc(II), C48H32N10O4Zn
- Crystal structure of 3-methyl-2H-chromen-2-one, C10H8O2
- Crystal structure of catena-poly-[aqua-(2-carboxy-5-(3-carboxy-5-carboxylatophenoxy)benzoato-κO)(μ2-4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-κ2N:N′)cobalt(II)], C34H24N4O10Co
- Crystal structure of 4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl, C36H28N8
- Crystal structure of 1-(3-chloropropyl)piperidin-1-ium tetraphenylborate, C32H37BClN
- Crystal structure of dimethyl 5-(benzylamino)isophthalate, C17H17NO4
- Crystal structure of dimethyl 5-(dibenzylamino)isophthalate, C24H23NO4
- Crystal structure of N-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioamide, C21H29N3S
- Crystal structure of (2,2′(cyclohexane-1,2-diylbis(nitrilo(E)methylylidene))diphenolato-κ4O,O′,N,N′)dimethanolmanganese(III) bromide, C22H28BrMnN2O4
- Crystal structure of 3,5,7-tris(morpholinomethyl)tropolone·0.67 hydrate, C22H33N3O5·0.67H2O
- Crystal structure of biphenyl-2,3′,5,5′-tetracarboxylic acid – 4,4′-biphenyl-4,4′-diyldipyridine (3/2), C49H34N3O8
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