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5-乙酰基-3-氨基-6-甲基- -苯基-4-[(Z)-2-苯基乙烯基]噻吩并[2,3-b]吡啶-2-甲酰胺的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl--phenyl-4-[()-2-phenyl-ethen-yl]thieno[2,3-]pyridine-2-carbox-amide.

作者信息

Mohamed Shaaban K, Bakhite Etify A, Çelikesir Sevim Türktekin, Abdu-Allah Hajjaj H M, Akkurt Mehmet, Ibrahim Omaima F, Mague Joel T, Al-Waleedy Safiyyah A H

机构信息

Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England.

Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Jan 28;78(Pt 2):225-230. doi: 10.1107/S2056989022000743. eCollection 2022 Jan 1.

DOI:10.1107/S2056989022000743
PMID:35145756
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8819448/
Abstract

The asymmetric unit of the title compound, CHNOS, comprises four mol-ecules. Their conformations differ primarily in the orientations of the styryl and the -phenyl-carboxamido groups. In the crystal, inter-molecular N-H⋯N, C-H⋯O and C-H⋯S hydrogen-bonding contacts as well a C-H⋯π(ring) inter-actions lead to the formation of a layer structure parallel to (010). Hirshfeld surface analysis revealed that H⋯H inter-actions represent the main contributions to the crystal packing.

摘要

标题化合物CHNOS的不对称单元包含四个分子。它们的构象主要在苯乙烯基和对苯基甲酰胺基的取向上有所不同。在晶体中,分子间的N-H⋯N、C-H⋯O和C-H⋯S氢键接触以及C-H⋯π(环)相互作用导致形成平行于(010)的层状结构。 Hirshfeld表面分析表明,H⋯H相互作用是晶体堆积的主要贡献因素。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/c4f6ddb2b139/e-78-00225-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/72bf861997dc/e-78-00225-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/bbeeba1922c5/e-78-00225-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/b38e716914bd/e-78-00225-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/5d0ffa99042c/e-78-00225-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/6e2f381973e6/e-78-00225-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/79a3afe4f24d/e-78-00225-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/c4f6ddb2b139/e-78-00225-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/72bf861997dc/e-78-00225-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/bbeeba1922c5/e-78-00225-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/b38e716914bd/e-78-00225-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/5d0ffa99042c/e-78-00225-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/6e2f381973e6/e-78-00225-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/79a3afe4f24d/e-78-00225-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/248c/8819448/c4f6ddb2b139/e-78-00225-fig7.jpg

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