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非甾体抗炎药尼美舒利（多晶型物II）的四乙铵盐的晶体结构

Crystal structure of the tetra-ethyl-ammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II).

作者信息

Rybczyńska Małgorzata, Sikorski Artur

机构信息

Faculty of Chemistry, University of Gdańsk, W. Stwosza 63, 80-308 Gdańsk, Poland.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Feb 20;80(Pt 3):314-317. doi: 10.1107/S2056989024001300. eCollection 2024 Mar 1.

DOI:10.1107/S2056989024001300
PMID:38456052
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10915663/
Abstract

The crystal structure of the tetra-ethyl-ammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II) (systematic name: tetra-ethyl-ammonium -methane-sulfonyl-4-nitro-2-phen-oxy-anilinide), CHN·CHNOS, was determined using single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic space group 2/ with one tetra-ethyl-ammonium cation and one nimesulide anion in the asymmetric unit. In the crystal, the ions are linked by C-H⋯N and C-H⋯O hydrogen bonds and C-H⋯π inter-actions. There are differences in the geometry of both the nimesulide anion and the tetra-ethyl-ammonium cation in polymorphs I [Rybczyńska & Sikorski (2023 ▸). , 17268] and II of the title compound.

摘要

使用单晶X射线衍射测定了非甾体抗炎药尼美舒利（多晶型物II）的四乙铵盐（系统名称：四乙铵 - 甲磺酰基 - 4 - 硝基 - 2 - 苯氧基苯胺），CHN·CHNOS的晶体结构。标题化合物在单斜空间群2/中结晶，不对称单元中有一个四乙铵阳离子和一个尼美舒利阴离子。在晶体中，离子通过C-H⋯N和C-H⋯O氢键以及C-H⋯π相互作用相连。标题化合物的多晶型物I [Rybczyńska & Sikorski (2023 ▸). , 17268]和II中，尼美舒利阴离子和四乙铵阳离子的几何结构存在差异。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/032a/10915663/aa08bfee2018/e-80-00314-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/032a/10915663/487ce072f7b8/e-80-00314-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/032a/10915663/eeace20931e7/e-80-00314-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/032a/10915663/aa08bfee2018/e-80-00314-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/032a/10915663/487ce072f7b8/e-80-00314-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/032a/10915663/eeace20931e7/e-80-00314-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/032a/10915663/aa08bfee2018/e-80-00314-fig3.jpg

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