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2-(2-羟基苯基)喹啉-6-磺酰胺的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 2-(2-hy-droxy-phen-yl)quinoline-6-sulfonamide.

作者信息

Benarous Nesrine, Moussa Slimane Nabila, Bougueria Hassiba, Boutebdja Mehdi, Cherouana Aouatef

机构信息

Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale (CHEMS), Faculté des Sciences Exactes, Université Frères Mentouri Constantine 1, Constantine, 25017, Algeria.

Centre Universitaire Abd El Hafid Boussouf, Mila, 43000 Mila, Algeria.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Mar 17;78(Pt 4):409-413. doi: 10.1107/S2056989022002870. eCollection 2022 Apr 1.

DOI:10.1107/S2056989022002870
PMID:35492264
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8983974/
Abstract

In the title compound, CHNOS, there are two mol-ecules ( and ) in the asymmetric unit. The attached phenol and quinoline moieties of each mol-ecule are almost coplanar with a dihedral angle of 6.05 (15)° for mol-ecule and 1.89 (13)° for mol-ecule . The crystal structure features N-H⋯O and C-H⋯O hydrogen bonds, C-H⋯π inter-actions and π-π stacking inter-actions. Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are C⋯H/H⋯C (29.2%), O⋯H/H⋯O (28.6%) and H⋯H (28.5%).

摘要

在标题化合物CHNOS中,不对称单元中有两个分子(和)。每个分子连接的苯酚和喹啉部分几乎共面,分子的二面角为6.05(15)°,分子的二面角为1.89(13)°。晶体结构具有N-H⋯O和C-H⋯O氢键、C-H⋯π相互作用和π-π堆积相互作用。 Hirshfeld表面分析表明,晶体堆积中最主要的接触是C⋯H/H⋯C(29.2%)、O⋯H/H⋯O(28.6%)和H⋯H(28.5%)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/6df105c5d5e5/e-78-00409-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/cebed037d274/e-78-00409-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/bde56832a76a/e-78-00409-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/1de0a5297db5/e-78-00409-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/0a3950baed9c/e-78-00409-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/4a2777319a54/e-78-00409-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/cb91e2d5154b/e-78-00409-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/85d067b342fa/e-78-00409-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/6df105c5d5e5/e-78-00409-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/cebed037d274/e-78-00409-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/bde56832a76a/e-78-00409-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/1de0a5297db5/e-78-00409-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/0a3950baed9c/e-78-00409-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/4a2777319a54/e-78-00409-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/cb91e2d5154b/e-78-00409-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/85d067b342fa/e-78-00409-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/076b/8983974/6df105c5d5e5/e-78-00409-fig8.jpg

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