2-[(di-chloro-methane)sulfon-yl]pyridine 的晶体结构。

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-21 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814025148

Zhiqiu Chen, Hembat Bolat, Xing Wan, Ya Li

{"title":"2-[(di-chloro-methane)sulfon-yl]pyridine 的晶体结构。","authors":"Zhiqiu Chen, Hembat Bolat, Xing Wan, Ya Li","doi":"10.1107/S1600536814025148","DOIUrl":null,"url":null,"abstract":"The asymmetric unit of the title compound, C6H5Cl2NO2S, contains two mol-ecules with similar conformations (r.m.s. overlay fit for the non-H atoms = 0.067 Å). Atoms attached to the pendent Csp (3)-S bond are arranged in a staggered conformation with one of the Cl atoms anti to the C atom in the aromatic ring [C-S-C-Cl torsion angles = 178.41 (11) and -176.70 (13)°]. In the crystal, mol-ecules are linked by C-H⋯N and C-H⋯O hydrogen bonds, generating a three-dimensional network, and weak aromatic π-π stacking is also observed [centroid-centroid separation = 3.8902 (17) Å]. ","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9000,"publicationDate":"2014-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257385/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystal structure of 2-[(di-chloro-methane)sulfon-yl]pyridine.\",\"authors\":\"Zhiqiu Chen, Hembat Bolat, Xing Wan, Ya Li\",\"doi\":\"10.1107/S1600536814025148\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The asymmetric unit of the title compound, C6H5Cl2NO2S, contains two mol-ecules with similar conformations (r.m.s. overlay fit for the non-H atoms = 0.067 Å). Atoms attached to the pendent Csp (3)-S bond are arranged in a staggered conformation with one of the Cl atoms anti to the C atom in the aromatic ring [C-S-C-Cl torsion angles = 178.41 (11) and -176.70 (13)°]. In the crystal, mol-ecules are linked by C-H⋯N and C-H⋯O hydrogen bonds, generating a three-dimensional network, and weak aromatic π-π stacking is also observed [centroid-centroid separation = 3.8902 (17) Å]. \",\"PeriodicalId\":7117,\"journal\":{\"name\":\"Acta crystallographica. Section E, Structure reports online\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.9000,\"publicationDate\":\"2014-11-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257385/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta crystallographica. Section E, Structure reports online\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S1600536814025148\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2014/12/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica. Section E, Structure reports online","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S1600536814025148","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2014/12/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

摘要

标题化合物 C6H5Cl2NO2S 的不对称单元包含两个具有相似构象的分子单元（非 H 原子的 r.m.s. 叠加拟合 = 0.067 Å）。与下垂 Csp (3)-S 键相连的原子呈交错构象排列，其中一个 Cl 原子与芳香环中的 C 原子相对[C-S-C-Cl 扭转角 = 178.41 (11) 和 -176.70 (13)°]。在晶体中，mol-ecules 通过 C-H⋯N 和 C-H⋯O 氢键连接，形成一个三维网络，同时还观察到微弱的芳香族 π-π 堆积[中心-中心间距 = 3.8902 (17) Å]。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

摘要图片

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

Crystal structure of 2-[(di-chloro-methane)sulfon-yl]pyridine.

The asymmetric unit of the title compound, C6H5Cl2NO2S, contains two mol-ecules with similar conformations (r.m.s. overlay fit for the non-H atoms = 0.067 Å). Atoms attached to the pendent Csp (3)-S bond are arranged in a staggered conformation with one of the Cl atoms anti to the C atom in the aromatic ring [C-S-C-Cl torsion angles = 178.41 (11) and -176.70 (13)°]. In the crystal, mol-ecules are linked by C-H⋯N and C-H⋯O hydrogen bonds, generating a three-dimensional network, and weak aromatic π-π stacking is also observed [centroid-centroid separation = 3.8902 (17) Å].

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.