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

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

The title compound, C13H16N2O3S, 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 approx...

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Main Authors: M. Venkatesh, V. Vijayakumar, Wan-Sin Loh, Hoong-Kun Fun, R. Venkat Ragavan
Format: Article
Language:English
Published: International Union of Crystallography 2010-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810044181
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spelling doaj-50569d62ec16495c983a4c8b4f695aaa2020-11-25T01:50:34ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-12-016612o3050o305110.1107/S16005368100441815-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-oneM. VenkateshV. VijayakumarWan-Sin LohHoong-Kun FunR. Venkat RagavanThe title compound, C13H16N2O3S, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536810044181
collection DOAJ
language English
format Article
sources DOAJ
author M. Venkatesh
V. Vijayakumar
Wan-Sin Loh
Hoong-Kun Fun
R. Venkat Ragavan
spellingShingle M. Venkatesh
V. Vijayakumar
Wan-Sin Loh
Hoong-Kun Fun
R. Venkat Ragavan
5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one
Acta Crystallographica Section E
author_facet M. Venkatesh
V. Vijayakumar
Wan-Sin Loh
Hoong-Kun Fun
R. Venkat Ragavan
author_sort M. Venkatesh
title 5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one
title_short 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_sort 5-isobutyl-4-phenylsulfonyl-1h-pyrazol-3(2h)-one
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2010-12-01
description The title compound, C13H16N2O3S, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810044181
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AT wansinloh 5isobutyl4phenylsulfonyl1hpyrazol32hone
AT hoongkunfun 5isobutyl4phenylsulfonyl1hpyrazol32hone
AT rvenkatragavan 5isobutyl4phenylsulfonyl1hpyrazol32hone
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