Cargando…

1-(4-Methyl­phen­yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro­benzene­sulfonate

In the title mol­ecule, C(22)H(17)N(3)O(5)S, the pyrazole ring is planar (r.m.s. deviation = 0.018 Å) and forms dihedral angles of 21.45 (10) and 6.96 (10)° with the N- and C-bound benzene rings, respectively. Supra­molecular layers in the bc plane are formed in the crystal via C—H⋯O and π–π inter­a...

Descripción completa

Detalles Bibliográficos
Autores principales: Wardell, Solange M. S. V., Tiekink, Edward R. T., Wardell, James L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344041/
https://www.ncbi.nlm.nih.gov/pubmed/22589950
http://dx.doi.org/10.1107/S1600536812010598
_version_ 1782231902219927552
author Wardell, Solange M. S. V.
Tiekink, Edward R. T.
Wardell, James L.
author_facet Wardell, Solange M. S. V.
Tiekink, Edward R. T.
Wardell, James L.
author_sort Wardell, Solange M. S. V.
collection PubMed
description In the title mol­ecule, C(22)H(17)N(3)O(5)S, the pyrazole ring is planar (r.m.s. deviation = 0.018 Å) and forms dihedral angles of 21.45 (10) and 6.96 (10)° with the N- and C-bound benzene rings, respectively. Supra­molecular layers in the bc plane are formed in the crystal via C—H⋯O and π–π inter­actions involving the sulfonamide benzene ring inter­acting with the N- and C-bound benzene rings [centroid–centroid distances = 3.790 (2) and 3.730 (2) Å, respectively]. The crystal studied was found to be a merohedral twin (twin law 1 0 0.678, 0 -1 0, 0 0 -1), the fractional contribution of the minor component being approximately 36%.
format Online
Article
Text
id pubmed-3344041
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33440412012-05-15 1-(4-Methyl­phen­yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro­benzene­sulfonate Wardell, Solange M. S. V. Tiekink, Edward R. T. Wardell, James L. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(22)H(17)N(3)O(5)S, the pyrazole ring is planar (r.m.s. deviation = 0.018 Å) and forms dihedral angles of 21.45 (10) and 6.96 (10)° with the N- and C-bound benzene rings, respectively. Supra­molecular layers in the bc plane are formed in the crystal via C—H⋯O and π–π inter­actions involving the sulfonamide benzene ring inter­acting with the N- and C-bound benzene rings [centroid–centroid distances = 3.790 (2) and 3.730 (2) Å, respectively]. The crystal studied was found to be a merohedral twin (twin law 1 0 0.678, 0 -1 0, 0 0 -1), the fractional contribution of the minor component being approximately 36%. International Union of Crystallography 2012-03-17 /pmc/articles/PMC3344041/ /pubmed/22589950 http://dx.doi.org/10.1107/S1600536812010598 Text en © Wardell 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
Wardell, Solange M. S. V.
Tiekink, Edward R. T.
Wardell, James L.
1-(4-Methyl­phen­yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro­benzene­sulfonate
title 1-(4-Methyl­phen­yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro­benzene­sulfonate
title_full 1-(4-Methyl­phen­yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro­benzene­sulfonate
title_fullStr 1-(4-Methyl­phen­yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro­benzene­sulfonate
title_full_unstemmed 1-(4-Methyl­phen­yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro­benzene­sulfonate
title_short 1-(4-Methyl­phen­yl)-3-phenyl-1H-pyrazol-5-yl 4-nitro­benzene­sulfonate
title_sort 1-(4-methyl­phen­yl)-3-phenyl-1h-pyrazol-5-yl 4-nitro­benzene­sulfonate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344041/
https://www.ncbi.nlm.nih.gov/pubmed/22589950
http://dx.doi.org/10.1107/S1600536812010598
work_keys_str_mv AT wardellsolangemsv 14methylphenyl3phenyl1hpyrazol5yl4nitrobenzenesulfonate
AT tiekinkedwardrt 14methylphenyl3phenyl1hpyrazol5yl4nitrobenzenesulfonate
AT wardelljamesl 14methylphenyl3phenyl1hpyrazol5yl4nitrobenzenesulfonate