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Acta Chemica Iasi

The Journal of "Alexandru Ioan Cuza" University from Iasi

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2067-2446
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NMR and X-ray Studies Concerning Structure of 6,6’-(Oxybis(4,1-phenylene))bis-(2-allylpyridazin- 3(2H)-one)

Vasilichia Antoci
  • “Al.I. Cuza” University Iasi, Faculty of Chemistry, Research Department, 11 Carol I Bd, Iasi 700506, Romania
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Mircea Apostu / Catalina Ciobanu
  • “Al.I. Cuza” University Iasi, Faculty of Chemistry, Research Department, 11 Carol I Bd, Iasi 700506, Romania
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Dorina Mantu
Published Online: 2014-07-16 | DOI: https://doi.org/10.2478/achi-2014-0003

Abstract

The structural NMR and X-ray studies of 6,6’-(Oxybis(4,1- phenylene))bis-(2-allylpyridazin-3(2H)-one), a bis-pyridazine derivative heterocycle, are reported in this study. Both 1H- and 13C- NMR confirm the proposed structure of compound. In order to establish unequivocally the structure of compound, the X-ray data analysis was performed. The compound crystallizes in the triclinic P-1(2) space group with a = 10.3699(7) Å, b = 10.6972(6) Å, c = 11.0449(4) Å, α = 87.941(5)°, β = 75.564(5)°, γ = 72.055(5)°, V= 1127.68 (12) Å3 and Z = 2. Molecular and crystal packing parameters for the novel heterocyclic system were obtained from intensity data collected at room temperature. The two phenyl rings (from the diphenyl ether moiety) are perpendicular one to each other and, on its turn, each phenyl ring is almost coplanar with the pyridazine ring

Keywords: 1H- and 13C- NMR; X-ray; crystal structure; bis-pyridazine

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About the article

Published Online: 2014-07-16

Published in Print: 2014-07-01


Citation Information: Acta Chemica Iasi, Volume 22, Issue 1, Pages 25–38, ISSN (Online) 2067-2446, DOI: https://doi.org/10.2478/achi-2014-0003.

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© Alexandru Ioan Cuza University in Iaşi . This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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