查尔酮衍生物(2E)-3-[4-（二苯基氨基）苯基]-1-[4-（丙-1- yn2 -基氧）苯基]丙-2-en-1-one的晶体结构和Hirshfeld表面分析。

IF 0.5 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI:10.1107/S2056989024011721

Sundarasamy Madhan , M. NizamMohideen , Vijayan Viswanathan , Devadasan Velmurugan

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引用次数: 0

摘要

在标题查尔酮衍生物C30H23NO2的晶体结构中，分子的C=O和C=C键呈s顺式构象。三苯胺部分呈螺旋桨状，苯环对平均平面之间的二面角分别为72.1(6)、69.7(1)和65.6(6)°。在晶体中，分子由C-H⋯O氢键连接，形成平行于[010]的链。此外，弱的C-H⋯π相互作用巩固了晶体的堆积。三苯基胺部分的一个苯环在两组位点上是无序的。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one

The molecule adopts an s-cis conformation with respect to the C=O and C—C bonds of the chalcone bridge.

In the crystal structure of the title chalcone derivative, C₃₀H₂₃NO₂, the molecule adopts an s-cis conformation with respect to the C=O and C=C bonds. The triphenylamine moiety has a propeller-type shape, with dihedral angles between the mean planes of pairs of phenyl rings of 72.1 (6), 69.7 (1) and 65.6 (6)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming chains extending parallel to [010]. In addition, weak C—H⋯π interactions consolidate the crystal packing. One of the phenyl rings of the triphenylamine moiety is disordered over two sets of sites.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.