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Cyano­methyl 4-(4-methyl­benzene­sulfonamido)­benzoate

The title mol­ecule, C(16)H(14)N(2)O(4)S, adopts an L-shaped conformation, with the central C—S—N—C torsion angle being −69.1 (3)°. The two benzene rings form a dihedral angle of 89.94 (15)°. The mol­ecular conformation may be influenced by a weak intra­molecular C—H⋯O hydrogen bond which generates...

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Autores principales: Mustafa, Ghulam, Akkurt, Mehmet, Khan, Islam Ullah, Muhmood, Tahir
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344598/
https://www.ncbi.nlm.nih.gov/pubmed/22590360
http://dx.doi.org/10.1107/S1600536812017126
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author Mustafa, Ghulam
Akkurt, Mehmet
Khan, Islam Ullah
Muhmood, Tahir
author_facet Mustafa, Ghulam
Akkurt, Mehmet
Khan, Islam Ullah
Muhmood, Tahir
author_sort Mustafa, Ghulam
collection PubMed
description The title mol­ecule, C(16)H(14)N(2)O(4)S, adopts an L-shaped conformation, with the central C—S—N—C torsion angle being −69.1 (3)°. The two benzene rings form a dihedral angle of 89.94 (15)°. The mol­ecular conformation may be influenced by a weak intra­molecular C—H⋯O hydrogen bond which generates an S(6) ring motif. In the crystal, mol­ecules are linked by N—H⋯O and weak C—H⋯O hydrogen bonds, forming chains propagating along the b axis. Weak C—H⋯N hydrogen bonds connect the chains into a two-dimensional network parallel to (011). The crystal studied was an inversion twin, the ratio of components being 0.7 (1):0.3 (1).
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spelling pubmed-33445982012-05-15 Cyano­methyl 4-(4-methyl­benzene­sulfonamido)­benzoate Mustafa, Ghulam Akkurt, Mehmet Khan, Islam Ullah Muhmood, Tahir Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(16)H(14)N(2)O(4)S, adopts an L-shaped conformation, with the central C—S—N—C torsion angle being −69.1 (3)°. The two benzene rings form a dihedral angle of 89.94 (15)°. The mol­ecular conformation may be influenced by a weak intra­molecular C—H⋯O hydrogen bond which generates an S(6) ring motif. In the crystal, mol­ecules are linked by N—H⋯O and weak C—H⋯O hydrogen bonds, forming chains propagating along the b axis. Weak C—H⋯N hydrogen bonds connect the chains into a two-dimensional network parallel to (011). The crystal studied was an inversion twin, the ratio of components being 0.7 (1):0.3 (1). International Union of Crystallography 2012-04-21 /pmc/articles/PMC3344598/ /pubmed/22590360 http://dx.doi.org/10.1107/S1600536812017126 Text en © Mustafa et al. 2012 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 Organic Papers
Mustafa, Ghulam
Akkurt, Mehmet
Khan, Islam Ullah
Muhmood, Tahir
Cyano­methyl 4-(4-methyl­benzene­sulfonamido)­benzoate
title Cyano­methyl 4-(4-methyl­benzene­sulfonamido)­benzoate
title_full Cyano­methyl 4-(4-methyl­benzene­sulfonamido)­benzoate
title_fullStr Cyano­methyl 4-(4-methyl­benzene­sulfonamido)­benzoate
title_full_unstemmed Cyano­methyl 4-(4-methyl­benzene­sulfonamido)­benzoate
title_short Cyano­methyl 4-(4-methyl­benzene­sulfonamido)­benzoate
title_sort cyano­methyl 4-(4-methyl­benzene­sulfonamido)­benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344598/
https://www.ncbi.nlm.nih.gov/pubmed/22590360
http://dx.doi.org/10.1107/S1600536812017126
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