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Crystal structure of 5-chloro-N (1)-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di­amine

The title compound, C(15)H(13)ClN(4), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit, which are far from planar as a result of steric repulsion between the rings. The benzene and phenyl rings are inclined to the central pyrazole ring by 46.64 (10) and 17.87 (10)° in mo...

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Autores principales: Yartsev, Yegor, Palchikov, Vitaliy, Gaponov, Alexandr, Shishkina, Svitlana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458314/
https://www.ncbi.nlm.nih.gov/pubmed/28638649
http://dx.doi.org/10.1107/S2056989017007381
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author Yartsev, Yegor
Palchikov, Vitaliy
Gaponov, Alexandr
Shishkina, Svitlana
author_facet Yartsev, Yegor
Palchikov, Vitaliy
Gaponov, Alexandr
Shishkina, Svitlana
author_sort Yartsev, Yegor
collection PubMed
description The title compound, C(15)H(13)ClN(4), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit, which are far from planar as a result of steric repulsion between the rings. The benzene and phenyl rings are inclined to the central pyrazole ring by 46.64 (10) and 17.87 (10)° in mol­ecule A, and by 40.02 (10) and 14.18 (10)° in mol­ecule B. The aromatic rings are inclined to one another by 58.77 (9)° in mol­ecule A, and 36.95 (8)° in mol­ecule B. In the crystal, the A and B mol­ecules are linked by two pairs of N—H⋯N hydrogen bonds forming A–B dimers. These are further linked by a fifth N—H⋯N hydrogen bond, forming tetra­mer-like units that stack along the a-axis direction, forming columns, which are in turn linked by C—H⋯π inter­actions, forming layers parallel to the ac plane.
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spelling pubmed-54583142017-06-21 Crystal structure of 5-chloro-N (1)-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di­amine Yartsev, Yegor Palchikov, Vitaliy Gaponov, Alexandr Shishkina, Svitlana Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(15)H(13)ClN(4), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit, which are far from planar as a result of steric repulsion between the rings. The benzene and phenyl rings are inclined to the central pyrazole ring by 46.64 (10) and 17.87 (10)° in mol­ecule A, and by 40.02 (10) and 14.18 (10)° in mol­ecule B. The aromatic rings are inclined to one another by 58.77 (9)° in mol­ecule A, and 36.95 (8)° in mol­ecule B. In the crystal, the A and B mol­ecules are linked by two pairs of N—H⋯N hydrogen bonds forming A–B dimers. These are further linked by a fifth N—H⋯N hydrogen bond, forming tetra­mer-like units that stack along the a-axis direction, forming columns, which are in turn linked by C—H⋯π inter­actions, forming layers parallel to the ac plane. International Union of Crystallography 2017-05-26 /pmc/articles/PMC5458314/ /pubmed/28638649 http://dx.doi.org/10.1107/S2056989017007381 Text en © Yartsev et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Yartsev, Yegor
Palchikov, Vitaliy
Gaponov, Alexandr
Shishkina, Svitlana
Crystal structure of 5-chloro-N (1)-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di­amine
title Crystal structure of 5-chloro-N (1)-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di­amine
title_full Crystal structure of 5-chloro-N (1)-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di­amine
title_fullStr Crystal structure of 5-chloro-N (1)-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di­amine
title_full_unstemmed Crystal structure of 5-chloro-N (1)-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di­amine
title_short Crystal structure of 5-chloro-N (1)-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-di­amine
title_sort crystal structure of 5-chloro-n (1)-(5-phenyl-1h-pyrazol-3-yl)benzene-1,2-di­amine
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458314/
https://www.ncbi.nlm.nih.gov/pubmed/28638649
http://dx.doi.org/10.1107/S2056989017007381
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