• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

同分异构体3,5-二氯-γ-(2,3-二甲基苯基)苯磺酰胺、3,5-二氯-γ-(2,6-二甲基苯基)苯磺酰胺和3,5-二氯-γ-(3,5-二甲基苯基)苯磺酰胺的晶体结构

Crystal structures of isomeric 3,5-di-chloro--(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro--(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro--(3,5-di-methyl-phen-yl)benzene-sulfonamide.

作者信息

Shakuntala K, Naveen S, Lokanath N K, Suchetan P A

机构信息

Department of Chemistry, Sri Bhuvanendra College, Karkala 574 104, India.

Institution of Excellence, University of Mysore, Manasagangotri, Mysuru 570 006, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Apr 11;73(Pt 5):673-677. doi: 10.1107/S2056989017005230. eCollection 2017 May 1.

DOI:10.1107/S2056989017005230
PMID:28529773
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5418781/
Abstract

The crystal structures of three isomeric compounds of formula CHClNOS, namely 3,5-di-chloro--(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro--(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro--(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The crystal structure of (I) features N-H⋯O hydrogen-bonded (8) loops inter-connected (7) chains of C-H⋯O inter-actions, forming a three-dimensional architecture. The structure also features π-π inter-actions [⋯ = 3.6970 (14) Å]. In (II), N-H⋯O hydrogen-bonded (8) loops are inter-connected π-π inter-actions [inter-centroid distance = 3.606 (3) Å] to form a one-dimensional architecture running parallel to the axis. In (III), adjacent (4) chains of N-H⋯O hydrogen-bonded mol-ecules running parallel to [010] are connected C-H⋯π inter-actions, forming sheets parallel to the plane. Neighbouring sheets are linked offset π-π inter-actions [inter-centroid distance = 3.8303 (16) Å] to form a three-dimensional architecture.

摘要

描述了分子式为CHClNOS的三种同分异构体化合物的晶体结构,即3,5-二氯-N-(2,3-二甲基苯基)苯磺酰胺(I)、3,5-二氯-N-(2,6-二甲基苯基)苯磺酰胺(II)和3,5-二氯-N-(3,5-二甲基苯基)苯磺酰胺(III)。这三种化合物的分子均呈U形,两个芳环在(I)中的倾斜角度为41.3 (6)°,在(II)中为42.1 (2)°,在(III)中为54.4 (3)°。(II)的分子构象通过分子内C-H⋯O氢键和C-H⋯π相互作用得以稳定。(I)的晶体结构具有由N-H⋯O氢键连接的(8)环,这些环相互连接形成(7)条C-H⋯O相互作用链,构成三维结构。该结构还具有π-π相互作用[⋯ = 3.6970 (14) Å]。在(II)中,N-H⋯O氢键连接的(8)环通过π-π相互作用[质心间距 = 3.606 (3) Å]相互连接,形成平行于c轴的一维结构。在(III)中,平行于[010]的相邻(4)条由N-H⋯O氢键连接的分子链通过C-H⋯π相互作用相连,形成平行于bc平面的片层。相邻片层通过错位π-π相互作用[质心间距 = 3.8303 (16) Å]相连,形成三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/ba57c960e011/e-73-00673-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/d2783e16ddd7/e-73-00673-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/52f4e21b033f/e-73-00673-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/638f92a0bf2e/e-73-00673-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/4e398f961967/e-73-00673-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/fe772c9e3a66/e-73-00673-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/1ffc5d64b21c/e-73-00673-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/ba57c960e011/e-73-00673-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/d2783e16ddd7/e-73-00673-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/52f4e21b033f/e-73-00673-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/638f92a0bf2e/e-73-00673-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/4e398f961967/e-73-00673-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/fe772c9e3a66/e-73-00673-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/1ffc5d64b21c/e-73-00673-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2ab9/5418781/ba57c960e011/e-73-00673-fig7.jpg

相似文献

1
Crystal structures of isomeric 3,5-di-chloro--(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro--(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro--(3,5-di-methyl-phen-yl)benzene-sulfonamide.同分异构体3,5-二氯-γ-(2,3-二甲基苯基)苯磺酰胺、3,5-二氯-γ-(2,6-二甲基苯基)苯磺酰胺和3,5-二氯-γ-(3,5-二甲基苯基)苯磺酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2017 Apr 11;73(Pt 5):673-677. doi: 10.1107/S2056989017005230. eCollection 2017 May 1.
2
Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[()-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[()-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[()-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate.4-{2,2-二氯-1-[(E)-苯基重氮基]乙烯基}苯甲酸甲酯、4-{2,2-二氯-1-[(E)-(4-甲基苯基)重氮基]乙烯基}苯甲酸甲酯和4-{2,2-二氯-1-[(E)-(3,4-二甲基苯基)重氮基]乙烯基}苯甲酸甲酯的晶体结构及 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2024 Jan 26;80(Pt 2):184-190. doi: 10.1107/S2056989024000732. eCollection 2024 Feb 1.
3
Crystal structures of methyl (E)-3-(2-chloro-phen-yl)-2-({2-[(E)-2-nitro-vin-yl]phen-oxy}meth-yl)acrylate and methyl (E)-2-({4-chloro-2-[(E)-2-nitro-vin-yl]phen-oxy}meth-yl)-3-(2-chloro-phen-yl)acrylate.(E)-3-(2-氯苯基)-2-{2-[(E)-2-硝基乙烯基]苯氧基甲基}丙烯酸甲酯和(E)-2-{4-氯-2-[(E)-2-硝基乙烯基]苯氧基甲基}-3-(2-氯苯基)丙烯酸甲酯的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Jan 30;72(Pt 2):261-5. doi: 10.1107/S2056989016001493. eCollection 2016 Feb 1.
4
Crystal structures of -(4-chloro-phen-yl)-2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]acetamide and -(3-chloro-phen-yl)-2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]acetamide.-(4-氯苯基)-2-[(4,6-二氨基嘧啶-2-基)硫烷基]乙酰胺和-(3-氯苯基)-2-[(4,6-二氨基嘧啶-2-基)硫烷基]乙酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2017 Mar 3;73(Pt 4):467-471. doi: 10.1107/S2056989017003243. eCollection 2017 Apr 1.
5
Crystal structures of three N-(aryl-sulfon-yl)-4-fluoro-benzamides.三种N-(芳基磺酰基)-4-氟苯甲酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Mar 31;72(Pt 4):575-82. doi: 10.1107/S2056989016005089. eCollection 2016 Apr 1.
6
Crystal structure and Hirshfeld surface analysis of 4-cyano--[(4-cyano-phen-yl)sulfon-yl]--[2-(5-methyl-furan-2-yl)phen-yl]benzene-sulfonamide.4-氰基-[(4-氰基苯基)磺酰基]-[2-(5-甲基呋喃-2-基)苯基]苯磺酰胺的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2023 Jul 21;79(Pt 8):747-751. doi: 10.1107/S2056989023006254. eCollection 2023 Jul 1.
7
Crystal structures and Hirshfeld surface analyses of ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene and ()-1-[1-(4--butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene.()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-苯基重氮烯、()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-(4-甲基苯基)重氮烯、()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-(4-甲氧基苯基)重氮烯和()-1-[1-(4-丁基苯基)-2,2-二氯乙烯基]-2-(3-甲基苯基)重氮烯的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2023 Jun 13;79(Pt 7):637-643. doi: 10.1107/S205698902300511X. eCollection 2023 Jun 1.
8
Crystal structures of 4-meth-oxy-N-(4-methyl-phenyl)benzene-sulfonamide and N-(4-fluoro-phenyl)-4-meth-oxy-benzene-sulfonamide.4-甲氧基-N-(4-甲基苯基)苯磺酰胺和N-(4-氟苯基)-4-甲氧基苯磺酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Oct 28;71(Pt 11):1388-91. doi: 10.1107/S2056989015019787. eCollection 2015 Nov 1.
9
Crystal structures of the synthetic inter-mediate 3-[(6-chloro-7-purin-7-yl)meth-yl]cyclo-butan-1-one, and of two oxetanocin derivatives: 3-[(6-chloro-8,9-di-hydro-7-purin-7-yl)meth-yl]cyclo-butan-1-ol and 3-[(6-chloro-9-purin-9-yl)meth-yl]cyclo-butan-1-ol.合成中间体3-[(6-氯-7-嘌呤-7-基)甲基]环丁烷-1-酮以及两种氧杂环丁菌素衍生物:3-[(6-氯-8,9-二氢-7-嘌呤-7-基)甲基]环丁烷-1-醇和3-[(6-氯-9-嘌呤-9-基)甲基]环丁烷-1-醇的晶体结构。
Acta Crystallogr E Crystallogr Commun. 2019 May 3;75(Pt 6):732-737. doi: 10.1107/S2056989019004432. eCollection 2019 Jun 1.
10
Crystal structures of 3-chloro-2-nitro-benzoic acid with quinoline derivatives: 3-chloro-2-nitro-benzoic acid-5-nitro-quinoline (1/1), 3-chloro-2-nitro-benzoic acid-6-nitro-quinoline (1/1) and 8-hy-droxy-quinolinium 3-chloro-2-nitro-benzoate.3-氯-2-硝基苯甲酸与喹啉衍生物的晶体结构:3-氯-2-硝基苯甲酸-5-硝基喹啉(1/1)、3-氯-2-硝基苯甲酸-6-硝基喹啉(1/1)和3-氯-2-硝基苯甲酸8-羟基喹啉盐。
Acta Crystallogr E Crystallogr Commun. 2019 Sep 27;75(Pt 10):1552-1557. doi: 10.1107/S2056989019012799. eCollection 2019 Oct 1.

本文引用的文献

1
Synthesis and characterization of celecoxib derivatives as possible anti-inflammatory, analgesic, antioxidant, anticancer and anti-HCV agents.塞来昔布衍生物的合成与表征及其作为潜在抗炎、镇痛、抗氧化、抗癌和抗 HCV 药物的研究。
Molecules. 2013 Mar 21;18(3):3595-614. doi: 10.3390/molecules18033595.
2
Synthesis and in vitro anticancer evaluation of some novel hexahydroquinoline derivatives having a benzenesulfonamide moiety.一些具有苯磺酰胺部分的新型六氢喹啉衍生物的合成及体外抗癌活性评价。
Eur J Med Chem. 2011 Jan;46(1):201-7. doi: 10.1016/j.ejmech.2010.11.002. Epub 2010 Nov 10.
3
In-vitro antifungal activities of sulfa drugs against clinical isolates of Aspergillus and Cryptococcus species.
磺胺类药物对曲霉属和隐球菌属临床分离株的体外抗真菌活性。
Nihon Ishinkin Gakkai Zasshi. 2007;48(1):47-50. doi: 10.3314/jjmm.48.47.