1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate

In the title hydrated mol­ecular salt, C(11)H(14)N(3)O(+)·Br(−)·H(2)O, the Br(−) anion is split and appears as two independent half-occupied Br(−) anions on twofold rotation axes. The dihedral angle between the phenyl ring and the mean plane of the 2,3-dihydro-1H-pyrazole ring (r.m.s. devation = 0.0...

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Autores principales: Yang, Yan-Yun, Xu, Liang, Kang, Ting-Guo, Chen, Ting, Wu, Ping
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/PMC3379513/
https://www.ncbi.nlm.nih.gov/pubmed/22719711
http://dx.doi.org/10.1107/S1600536812023550
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author Yang, Yan-Yun
Xu, Liang
Kang, Ting-Guo
Chen, Ting
Wu, Ping
author_facet Yang, Yan-Yun
Xu, Liang
Kang, Ting-Guo
Chen, Ting
Wu, Ping
author_sort Yang, Yan-Yun
collection PubMed
description In the title hydrated mol­ecular salt, C(11)H(14)N(3)O(+)·Br(−)·H(2)O, the Br(−) anion is split and appears as two independent half-occupied Br(−) anions on twofold rotation axes. The dihedral angle between the phenyl ring and the mean plane of the 2,3-dihydro-1H-pyrazole ring (r.m.s. devation = 0.014 Å) is 62.43 (7)°. In the crystal, the components are connected via O—H⋯Br and N—H⋯O hydrogen bonds to form a one-dimensional polymeric structure propagating along [001].
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spelling pubmed-33795132012-06-20 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate Yang, Yan-Yun Xu, Liang Kang, Ting-Guo Chen, Ting Wu, Ping Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated mol­ecular salt, C(11)H(14)N(3)O(+)·Br(−)·H(2)O, the Br(−) anion is split and appears as two independent half-occupied Br(−) anions on twofold rotation axes. The dihedral angle between the phenyl ring and the mean plane of the 2,3-dihydro-1H-pyrazole ring (r.m.s. devation = 0.014 Å) is 62.43 (7)°. In the crystal, the components are connected via O—H⋯Br and N—H⋯O hydrogen bonds to form a one-dimensional polymeric structure propagating along [001]. International Union of Crystallography 2012-05-31 /pmc/articles/PMC3379513/ /pubmed/22719711 http://dx.doi.org/10.1107/S1600536812023550 Text en © Yang 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
Yang, Yan-Yun
Xu, Liang
Kang, Ting-Guo
Chen, Ting
Wu, Ping
1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate
title 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate
title_full 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate
title_fullStr 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate
title_full_unstemmed 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate
title_short 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-aminium bromide monohydrate
title_sort 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-aminium bromide monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379513/
https://www.ncbi.nlm.nih.gov/pubmed/22719711
http://dx.doi.org/10.1107/S1600536812023550
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