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

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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。

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

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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].

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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.