3,4-Dinitro-1H-pyrazole benzene 0.25-solvate

The asymmetric unit of the title compound, 4C(3)H(2)N(2)O(4)·C(6)H(6), contains two independent dinitro­pyrazole mol­ecules and half a benzene solvent mol­ecule, which lies on a crystallographic inversion centre. Each pyrazole ring is essentially planar (mean deviations of 0.009 and 0.002 Å), with t...

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Detalles Bibliográficos
Autores principales: Li, Yong-Xiang, Du, Shan, Wang, Jian-Long
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120617/
https://www.ncbi.nlm.nih.gov/pubmed/21754761
http://dx.doi.org/10.1107/S1600536811015996
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author Li, Yong-Xiang
Du, Shan
Wang, Jian-Long
author_facet Li, Yong-Xiang
Du, Shan
Wang, Jian-Long
author_sort Li, Yong-Xiang
collection PubMed
description The asymmetric unit of the title compound, 4C(3)H(2)N(2)O(4)·C(6)H(6), contains two independent dinitro­pyrazole mol­ecules and half a benzene solvent mol­ecule, which lies on a crystallographic inversion centre. Each pyrazole ring is essentially planar (mean deviations of 0.009 and 0.002 Å), with the two nitro groups rotated out of the plane [dihedral angles = 11.7 (2)/31.1 (1) and 21.8 (2)/25.0 (1)° for the two mol­ecules].
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spelling pubmed-31206172011-07-13 3,4-Dinitro-1H-pyrazole benzene 0.25-solvate Li, Yong-Xiang Du, Shan Wang, Jian-Long Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, 4C(3)H(2)N(2)O(4)·C(6)H(6), contains two independent dinitro­pyrazole mol­ecules and half a benzene solvent mol­ecule, which lies on a crystallographic inversion centre. Each pyrazole ring is essentially planar (mean deviations of 0.009 and 0.002 Å), with the two nitro groups rotated out of the plane [dihedral angles = 11.7 (2)/31.1 (1) and 21.8 (2)/25.0 (1)° for the two mol­ecules]. International Union of Crystallography 2011-05-11 /pmc/articles/PMC3120617/ /pubmed/21754761 http://dx.doi.org/10.1107/S1600536811015996 Text en © Li et al. 2011 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
Li, Yong-Xiang
Du, Shan
Wang, Jian-Long
3,4-Dinitro-1H-pyrazole benzene 0.25-solvate
title 3,4-Dinitro-1H-pyrazole benzene 0.25-solvate
title_full 3,4-Dinitro-1H-pyrazole benzene 0.25-solvate
title_fullStr 3,4-Dinitro-1H-pyrazole benzene 0.25-solvate
title_full_unstemmed 3,4-Dinitro-1H-pyrazole benzene 0.25-solvate
title_short 3,4-Dinitro-1H-pyrazole benzene 0.25-solvate
title_sort 3,4-dinitro-1h-pyrazole benzene 0.25-solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120617/
https://www.ncbi.nlm.nih.gov/pubmed/21754761
http://dx.doi.org/10.1107/S1600536811015996
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AT dushan 34dinitro1hpyrazolebenzene025solvate
AT wangjianlong 34dinitro1hpyrazolebenzene025solvate

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