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（）-1-（2,4-二甲基呋喃-3-基）-3-苯基丙-2-烯-1-酮的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of ()-1-(2,4-di-methyl-furan-3-yl)-3-phenyl-prop-2-en-1-one.

作者信息

Khalilov Ali N, Khrustalev Victor N, Samigullina Aida I, Akkurt Mehmet, Rzayev Rovnag M, Bhattarai Ajaya, Mamedov İbrahim G

机构信息

"Composite Materials" Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Az 1063, Baku, Azerbaijan.

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

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Jul 14;79(Pt 8):736-740. doi: 10.1107/S2056989023006084. eCollection 2023 Jul 1.

DOI:10.1107/S2056989023006084
PMID:37601402
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10439413/
Abstract

The title compound, CHO, adopts an configuration about the C=C double bond. The furan ring is inclined to the phenyl ring by 12.03 (9)°. In the crystal, pairs of mol-ecules are linked by C-H⋯O hydrogen bonds, forming dimers with (14) ring motifs. The mol-ecules are connected C-H⋯π inter-actions, forming a three dimensional network. No π-π inter-actions are observed.

摘要

标题化合物CHO在C=C双键周围呈反式构型。呋喃环相对于苯环倾斜12.03 (9)°。在晶体中，分子对通过C-H⋯O氢键相连，形成具有R22(14)环模式的二聚体。分子通过C-H⋯π相互作用连接，形成三维网络。未观察到π-π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/54fc0c90ca58/e-79-00736-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/d0d7f9eb6dc0/e-79-00736-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/381ed11aac12/e-79-00736-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/0a22f9ab58cc/e-79-00736-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/31d62faa5b98/e-79-00736-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/0495871c3eaa/e-79-00736-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/54fc0c90ca58/e-79-00736-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/d0d7f9eb6dc0/e-79-00736-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/381ed11aac12/e-79-00736-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/0a22f9ab58cc/e-79-00736-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/31d62faa5b98/e-79-00736-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/0495871c3eaa/e-79-00736-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5112/10439413/54fc0c90ca58/e-79-00736-fig6.jpg

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