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()-1-(2-羟基苯基)-3-(3-甲氧基苯基)丙-2-烯-1-酮

()-1-(2-Hy-droxy-phen-yl)-3-(3-meth-oxy-phen-yl)prop-2-en-1-one.

作者信息

Naghiyev Farid N, Hökelek Tuncer, Khrustalev Victor N, Zueva Anna Yu, Asadov Khammed A, Belay Alebel N, Mamedov Ibrahim G

机构信息

Department of Chemistry, Baku State University, Z. Khalilov Str. 23, Az 1148 Baku, Azerbaijan.

Hacettepe University, Department of Physics, 06800 Beytepe-Ankara, Türkiye.

出版信息

IUCrdata. 2025 Mar 4;10(Pt 3):x250182. doi: 10.1107/S2414314625001828. eCollection 2025 Mar.

Abstract

In the title compound, CHO, the phenyl rings are oriented at a dihedral angle of 3.82 (3)° and an intra-molecular O-H⋯O hydrogen bond closes an (6) ring. In the crystal, weak C-H⋯O and C-H⋯π hydrogen bonds and aromatic π-π stacking occurs. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (48.2%), H⋯O/O⋯H (20.0%), H⋯C/C⋯H (16.5%) and C⋯C (12.7%) inter-actions.

摘要

在标题化合物CHO中,苯环的二面角为3.82 (3)°,分子内O-H⋯O氢键形成一个六元环。在晶体中,存在弱的C-H⋯O和C-H⋯π氢键以及芳香π-π堆积。晶体结构的 Hirshfeld 表面分析表明,晶体堆积的最重要贡献来自H⋯H(48.2%)、H⋯O/O⋯H(20.0%)、H⋯C/C⋯H(16.5%)和C⋯C(12.7%)相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b124/11969391/1a35c69f1373/x-10-x250182-fig1.jpg

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