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6-苯甲酰基-3,5-二苯基环己-2-烯-1-酮的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-di-phenyl-cyclo-hex-2-en-1-one.

作者信息

Naghiyev Farid N, Akkurt Mehmet, Askerov Rizvan K, Mamedov Ibrahim G, Rzayev Rovnag M, Chyrka Taras, Maharramov Abel M

机构信息

Organic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, Azerbaijan.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Apr 21;76(Pt 5):720-723. doi: 10.1107/S2056989020005381. eCollection 2020 May 1.

DOI:10.1107/S2056989020005381
PMID:32431939
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7199244/
Abstract

In the title compound, CHO, the central cyclo-hexenone ring adopts an envelope conformation. The mean plane of the cyclo-hexenone ring makes dihedral angles of 87.66 (11) and 23.76 (12)°, respectively, with the two attached phenyl rings, while it is inclined by 69.55 (11)° to the phenyl ring of the benzoyl group. In the crystal, the mol-ecules are linked by C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional network.

摘要

在标题化合物CHO中，中心环己烯酮环呈信封式构象。环己烯酮环的平均平面与两个相连的苯环分别形成87.66 (11)°和23.76 (12)°的二面角，同时它相对于苯甲酰基的苯环倾斜69.55 (11)°。在晶体中，分子通过C—H⋯O和C—H⋯π相互作用相连，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/4b81b1b0ff7e/e-76-00720-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/68424a7d0081/e-76-00720-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/e527737cabdb/e-76-00720-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/5dcc537b3748/e-76-00720-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/4e2ca85725d6/e-76-00720-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/4b81b1b0ff7e/e-76-00720-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/68424a7d0081/e-76-00720-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/e527737cabdb/e-76-00720-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/5dcc537b3748/e-76-00720-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/4e2ca85725d6/e-76-00720-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61ab/7199244/4b81b1b0ff7e/e-76-00720-fig5.jpg

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