3,5-Dimethyl-1-(4-nitro­phen­yl)-1H-pyrazole

In the title pyrazole derivative, C(11)H(11)N(3)O(2), the benzene ring is twisted [dihedral angle = 31.38 (12)°] with respect to the pyrazole ring (r.m.s. deviation = 0.009 Å). The nitro group is effectively coplanar with the benzene ring to which it is attached [O—N—C—C torsion angle = −6.5 (3)°]....

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Detalles Bibliográficos
Autores principales: Tiekink, Edward R. T., Wardell, Solange M. S. V., Wardell, James L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343982/
https://www.ncbi.nlm.nih.gov/pubmed/22589891
http://dx.doi.org/10.1107/S1600536812009579
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author Tiekink, Edward R. T.
Wardell, Solange M. S. V.
Wardell, James L.
author_facet Tiekink, Edward R. T.
Wardell, Solange M. S. V.
Wardell, James L.
author_sort Tiekink, Edward R. T.
collection PubMed
description In the title pyrazole derivative, C(11)H(11)N(3)O(2), the benzene ring is twisted [dihedral angle = 31.38 (12)°] with respect to the pyrazole ring (r.m.s. deviation = 0.009 Å). The nitro group is effectively coplanar with the benzene ring to which it is attached [O—N—C—C torsion angle = −6.5 (3)°]. Supra­molecular chains along the b axis are formed owing to π–π inter­actions [3.8653 (2) Å] between translationally related mol­ecules involving both the five- and six-membered rings.
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spelling pubmed-33439822012-05-15 3,5-Dimethyl-1-(4-nitro­phen­yl)-1H-pyrazole Tiekink, Edward R. T. Wardell, Solange M. S. V. Wardell, James L. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyrazole derivative, C(11)H(11)N(3)O(2), the benzene ring is twisted [dihedral angle = 31.38 (12)°] with respect to the pyrazole ring (r.m.s. deviation = 0.009 Å). The nitro group is effectively coplanar with the benzene ring to which it is attached [O—N—C—C torsion angle = −6.5 (3)°]. Supra­molecular chains along the b axis are formed owing to π–π inter­actions [3.8653 (2) Å] between translationally related mol­ecules involving both the five- and six-membered rings. International Union of Crystallography 2012-03-10 /pmc/articles/PMC3343982/ /pubmed/22589891 http://dx.doi.org/10.1107/S1600536812009579 Text en © Tiekink 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
Tiekink, Edward R. T.
Wardell, Solange M. S. V.
Wardell, James L.
3,5-Dimethyl-1-(4-nitro­phen­yl)-1H-pyrazole
title 3,5-Dimethyl-1-(4-nitro­phen­yl)-1H-pyrazole
title_full 3,5-Dimethyl-1-(4-nitro­phen­yl)-1H-pyrazole
title_fullStr 3,5-Dimethyl-1-(4-nitro­phen­yl)-1H-pyrazole
title_full_unstemmed 3,5-Dimethyl-1-(4-nitro­phen­yl)-1H-pyrazole
title_short 3,5-Dimethyl-1-(4-nitro­phen­yl)-1H-pyrazole
title_sort 3,5-dimethyl-1-(4-nitro­phen­yl)-1h-pyrazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343982/
https://www.ncbi.nlm.nih.gov/pubmed/22589891
http://dx.doi.org/10.1107/S1600536812009579
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