Crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine

The asymmetric unit of the title compound, C(6)H(5)Cl(2)NO(2)S, contains two mol­ecules 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...

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Autores principales: Chen, Zhiqiu, Bolat, Hembat, Wan, Xing, Li, Ya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257385/
https://www.ncbi.nlm.nih.gov/pubmed/25553040
http://dx.doi.org/10.1107/S1600536814025148
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author Chen, Zhiqiu
Bolat, Hembat
Wan, Xing
Li, Ya
author_facet Chen, Zhiqiu
Bolat, Hembat
Wan, Xing
Li, Ya
author_sort Chen, Zhiqiu
collection PubMed
description The asymmetric unit of the title compound, C(6)H(5)Cl(2)NO(2)S, contains two mol­ecules 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, mol­ecules 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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spelling pubmed-42573852014-12-31 Crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine Chen, Zhiqiu Bolat, Hembat Wan, Xing Li, Ya Acta Crystallogr Sect E Struct Rep Online Data Reports The asymmetric unit of the title compound, C(6)H(5)Cl(2)NO(2)S, contains two mol­ecules 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, mol­ecules 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]. International Union of Crystallography 2014-11-21 /pmc/articles/PMC4257385/ /pubmed/25553040 http://dx.doi.org/10.1107/S1600536814025148 Text en © Chen et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Chen, Zhiqiu
Bolat, Hembat
Wan, Xing
Li, Ya
Crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine
title Crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine
title_full Crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine
title_fullStr Crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine
title_full_unstemmed Crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine
title_short Crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine
title_sort crystal structure of 2-[(di­chloro­methane)sulfon­yl]pyridine
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257385/
https://www.ncbi.nlm.nih.gov/pubmed/25553040
http://dx.doi.org/10.1107/S1600536814025148
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AT bolathembat crystalstructureof2dichloromethanesulfonylpyridine
AT wanxing crystalstructureof2dichloromethanesulfonylpyridine
AT liya crystalstructureof2dichloromethanesulfonylpyridine

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