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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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. |
format | Online Article Text |
id | pubmed-5458314 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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