Crystal structure of 7-hydroxy-3,4-dihydronaphthalen-1(2 H )-one, C 10 H 10 O 2

C 10 H 10 O 2 , monoclinic, C 2/ c (no. 15), a = 16.6341(14) Å, b = 7.4319(4) Å, c = 14.8943(10) Å, β = 123.243(8) ° , V = 1540.0(2) Å 3 , Z = 8, R gt ( F ) = 0.0371, wR ref ( F 2 ) = 0.0997, T = 293 K. CCDC


Experimental details
The H atoms were placed in idealized positions and treated as riding on their parent atoms, with d(C-H) = 0.97 Å (methylene), U iso (H) = 1.2U eq (C), and d(C-H) = 0.93 Å (aromatic), U iso (H) = 1.2U eq (C). 3 Comment 1-Tetralones are aromatic bicyclic compounds containing 3,4-dihydronaphthalen-1(2H)-one (DHN) molecules, which are of increasing interest due to their chemical properties and potential applications in the pharmaceutical industry [6].Tetrahydronaphthones are organic compounds containing a benzene ring with special aromatic properties.In addition to the benzene ring, it contains a reactive carbonyl functional group, which plays an important role in the properties and reactions of the compound.In addition, methylene groups are present in tetralone, and the presence of methylene groups gives the compound a certain space configuration.The benzene ring in the molecule is aromatic, and the ring in which the carbonyl group is located is not aromatic, resulting in different behaviors of the benzene ring and the carbonyl ring in terms of reactivity and reaction selectivity.Therefore, tetralone can be further synthesized into numerous derivatives by adding different substituents, altering their interactions and bioactivities towards biomolecules [7,8].
The bond length of C( 8)=O( 1) is 1.2276 (18) Å, which represents a typical C=O double bond (see the figure).
There are also three methylene groups the molecule, the C(5)-C(6) bond distance is 1.525(2) Å, the C(6)-C(7) bond distance is 1.5223(4) Å, and the angle of C( 5)-C(6)-C( 7) is 109.37(12)°.In addition, there is a phenolic hydroxyl group with a bond length of 1.3608(17) Å (C(2)-O(2)), which can act as an electron donor or acceptor and link to other molecules in the form of hydrogen bonds.Other bond lengths and bond angles are all in the normal ranges [9,11].Due to the distortion effect of 3,4-dihydronaphthalen-1(2H)-one, 7-hydroxyphenyl is not coplanar with its aromatic substituents.This distorted conformation may increase the likelihood of interaction with biologically active molecules, resulting in enhanced biological activity [10].

Table  :
Data collection and handling.

Table  :
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å  ).