5-Isobutyl-4-phenyl­sulfonyl-1H-pyrazol-3(2H)-one

The title compound, C(13)H(16)N(2)O(3)S, consists of two crystallographically independent mol­ecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2) and 1.254 (2) Å. In both mol­ecules, the pyrazole rings are approximately planar, with maximum deviations of 0....

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Autores principales: Loh, Wan-Sin, Fun, Hoong-Kun, Ragavan, R. Venkat, Vijayakumar, V., Venkatesh, M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011737/
https://www.ncbi.nlm.nih.gov/pubmed/21589363
http://dx.doi.org/10.1107/S1600536810044181
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author Loh, Wan-Sin
Fun, Hoong-Kun
Ragavan, R. Venkat
Vijayakumar, V.
Venkatesh, M.
author_facet Loh, Wan-Sin
Fun, Hoong-Kun
Ragavan, R. Venkat
Vijayakumar, V.
Venkatesh, M.
author_sort Loh, Wan-Sin
collection PubMed
description The title compound, C(13)H(16)N(2)O(3)S, consists of two crystallographically independent mol­ecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2) and 1.254 (2) Å. In both mol­ecules, the pyrazole rings are approximately planar, with maximum deviations of 0.017 (2) and 0.010 (2) Å, and the dihedral angles between the pyrazole and phenyl rings are 83.63 (11) and 70.07 (12)°. In one mol­ecule, an intra­molecular C—H⋯O hydrogen bond with an S(6) ring motif is observed. In the crystal, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into two-dimensional networks parallel to the ab plane.
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spelling pubmed-30117372010-12-30 5-Isobutyl-4-phenyl­sulfonyl-1H-pyrazol-3(2H)-one Loh, Wan-Sin Fun, Hoong-Kun Ragavan, R. Venkat Vijayakumar, V. Venkatesh, M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(16)N(2)O(3)S, consists of two crystallographically independent mol­ecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2) and 1.254 (2) Å. In both mol­ecules, the pyrazole rings are approximately planar, with maximum deviations of 0.017 (2) and 0.010 (2) Å, and the dihedral angles between the pyrazole and phenyl rings are 83.63 (11) and 70.07 (12)°. In one mol­ecule, an intra­molecular C—H⋯O hydrogen bond with an S(6) ring motif is observed. In the crystal, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into two-dimensional networks parallel to the ab plane. International Union of Crystallography 2010-11-06 /pmc/articles/PMC3011737/ /pubmed/21589363 http://dx.doi.org/10.1107/S1600536810044181 Text en © Loh et al. 2010 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
Loh, Wan-Sin
Fun, Hoong-Kun
Ragavan, R. Venkat
Vijayakumar, V.
Venkatesh, M.
5-Isobutyl-4-phenyl­sulfonyl-1H-pyrazol-3(2H)-one
title 5-Isobutyl-4-phenyl­sulfonyl-1H-pyrazol-3(2H)-one
title_full 5-Isobutyl-4-phenyl­sulfonyl-1H-pyrazol-3(2H)-one
title_fullStr 5-Isobutyl-4-phenyl­sulfonyl-1H-pyrazol-3(2H)-one
title_full_unstemmed 5-Isobutyl-4-phenyl­sulfonyl-1H-pyrazol-3(2H)-one
title_short 5-Isobutyl-4-phenyl­sulfonyl-1H-pyrazol-3(2H)-one
title_sort 5-isobutyl-4-phenyl­sulfonyl-1h-pyrazol-3(2h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011737/
https://www.ncbi.nlm.nih.gov/pubmed/21589363
http://dx.doi.org/10.1107/S1600536810044181
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