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2-氨基-5-氯苯甲酮肟单斜晶系多晶型物在90 K时的晶体结构及 Hirshfeld 表面分析

Crystal structure and Hirshfeld-surface analysis of a monoclinic polymorph of 2-amino-5-chloro-benzo-phenone oxime at 90 K.

作者信息

Geetha Doreswamy, Kavitha Channappa N, Divakara Thayamma R, Basavaraju Yeriyur B, Yathirajan Hemmige S, Parkin Sean

机构信息

Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysuru-570 006, India.

Department of Chemistry, Government Science College, Hassan-573 201, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Jun 6;79(Pt 7):610-613. doi: 10.1107/S2056989023004668. eCollection 2023 Jun 1.

DOI:10.1107/S2056989023004668
PMID:37601585
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10439431/
Abstract

The synthesis and crystal structure of a monoclinic polymorph of 2-amino-5-chloro-benzo-phenone oxime, CHClNO, are presented. The mol-ecular conformation results from twisting of the phenyl and 2-amino-5-chloro benzene rings attached to the oxime group, which subtend a dihedral angle of 80.53 (4)°. In the crystal, centrosymmetric dimers are formed as a result of pairs of strong O-H⋯N hydrogen bonds. A comparison is made to a previously known triclinic polymorph, including differences in atom-atom contacts obtained a Hirshfeld-surface analysis.

摘要

介绍了2-氨基-5-氯苯乙酮肟（CHClNO）单斜晶系多晶型物的合成及晶体结构。分子构象是由肟基连接的苯基和2-氨基-5-氯苯环扭转导致的，二者形成80.53 (4)°的二面角。在晶体中，通过成对的强O-H⋯N氢键形成了中心对称二聚体。与先前已知的三斜晶系多晶型物进行了比较，包括通过 Hirshfeld 表面分析得到的原子间接触差异。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/9e7ed440e06b/e-79-00610-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/a2b00d8a1590/e-79-00610-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/8132862e367a/e-79-00610-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/ccc233e602c9/e-79-00610-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/ea8f2d4ea098/e-79-00610-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/9e7ed440e06b/e-79-00610-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/a2b00d8a1590/e-79-00610-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/8132862e367a/e-79-00610-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/ccc233e602c9/e-79-00610-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/ea8f2d4ea098/e-79-00610-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/10439431/9e7ed440e06b/e-79-00610-fig5.jpg

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