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Crystal structure of (E)-N-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate

The mol­ecule of the title compound, C(16)H(16)ClN(3)O(3)S·H(2)O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3)°. The central part of the mol­ecule, C—C—N—N=C, is almost linear, with the C—C—N—N and C—N—N=C torsion angles being −174.1 (2) and 176.0 (2)°, respectively....

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Autores principales: Purandara, H., Foro, Sabine, Gowda, B. Thimme
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459383/
https://www.ncbi.nlm.nih.gov/pubmed/26090131
http://dx.doi.org/10.1107/S2056989015008506
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author Purandara, H.
Foro, Sabine
Gowda, B. Thimme
author_facet Purandara, H.
Foro, Sabine
Gowda, B. Thimme
author_sort Purandara, H.
collection PubMed
description The mol­ecule of the title compound, C(16)H(16)ClN(3)O(3)S·H(2)O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3)°. The central part of the mol­ecule, C—C—N—N=C, is almost linear, with the C—C—N—N and C—N—N=C torsion angles being −174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between the p-toluene­sulfonyl ring and the S—N—C—C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O—H⋯O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C—H⋯O contacts present within the sheets.
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spelling pubmed-44593832015-06-18 Crystal structure of (E)-N-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate Purandara, H. Foro, Sabine Gowda, B. Thimme Acta Crystallogr E Crystallogr Commun Research Communications The mol­ecule of the title compound, C(16)H(16)ClN(3)O(3)S·H(2)O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3)°. The central part of the mol­ecule, C—C—N—N=C, is almost linear, with the C—C—N—N and C—N—N=C torsion angles being −174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between the p-toluene­sulfonyl ring and the S—N—C—C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O—H⋯O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C—H⋯O contacts present within the sheets. International Union of Crystallography 2015-05-09 /pmc/articles/PMC4459383/ /pubmed/26090131 http://dx.doi.org/10.1107/S2056989015008506 Text en © Purandara et al. 2015 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 Research Communications
Purandara, H.
Foro, Sabine
Gowda, B. Thimme
Crystal structure of (E)-N-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate
title Crystal structure of (E)-N-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate
title_full Crystal structure of (E)-N-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate
title_fullStr Crystal structure of (E)-N-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate
title_full_unstemmed Crystal structure of (E)-N-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate
title_short Crystal structure of (E)-N-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate
title_sort crystal structure of (e)-n-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459383/
https://www.ncbi.nlm.nih.gov/pubmed/26090131
http://dx.doi.org/10.1107/S2056989015008506
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