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5-苯甲酰基-2-(1H-吲哚-3-基)-4-(4-甲基苯基)-4,5-二氢呋喃-3-腈

5-Benzoyl-2-(1H-indol-3-yl)-4-(4-methyl-phen-yl)-4,5-dihydro-furan-3-carbonitrile.

作者信息

Suresh J, Vishnupriya R, Gunasekaran P, Perumal S, Lakshman P L Nilantha

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1124. doi: 10.1107/S1600536812011105. Epub 2012 Mar 21.

DOI:10.1107/S1600536812011105
PMID:22589979
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344070/
Abstract

The furan ring in the title compound, C(27)H(20)N(2)O(2), adopts a twisted conformation about the sp(3)-sp(3) bond. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O inter-action which generates an S(6) ring motif. The crystal packing is stabilized by N-H⋯O and C-H⋯O inter-actions generating centrosymmetric R(2) (2)(18) and C(6) chain motifs, respectively. A weak C-H⋯π inter-action is also observed.

摘要

标题化合物C(27)H(20)N(2)O(2)中的呋喃环围绕sp(3)-sp(3)键采取扭曲构象。分子结构通过分子内C-H⋯O相互作用得以稳定，该相互作用产生一个S(6)环模式。晶体堆积通过N-H⋯O和C-H⋯O相互作用得以稳定，分别产生中心对称的R(2) (2)(18)和C(6)链模式。还观察到一个弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7082/3344070/ea420e6d3e88/e-68-o1124-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7082/3344070/38af9df497a1/e-68-o1124-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7082/3344070/ea420e6d3e88/e-68-o1124-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7082/3344070/38af9df497a1/e-68-o1124-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7082/3344070/ea420e6d3e88/e-68-o1124-fig2.jpg

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