2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro­phen­yl)meth­yl]malononitrile

In the crystal structure of the title compound, C(20)H(16)ClN(5), the dihedral angle between the pyrazole ring and the phenyl ring is 54.7 (1)° and that between the pyrazole ring and the chloro-substituted phenyl ring is 72.4 (1)°. The methyl H atoms are disordered over two positions with site occup...

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Detalles Bibliográficos
Autores principales: Zhang, Xin-Ying, Li, Xiao-Yan, Wang, Xia, Li, Dong-Fang, Fan, Xue-Sen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961285/
https://www.ncbi.nlm.nih.gov/pubmed/21202390
http://dx.doi.org/10.1107/S1600536808011562
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author Zhang, Xin-Ying
Li, Xiao-Yan
Wang, Xia
Li, Dong-Fang
Fan, Xue-Sen
author_facet Zhang, Xin-Ying
Li, Xiao-Yan
Wang, Xia
Li, Dong-Fang
Fan, Xue-Sen
author_sort Zhang, Xin-Ying
collection PubMed
description In the crystal structure of the title compound, C(20)H(16)ClN(5), the dihedral angle between the pyrazole ring and the phenyl ring is 54.7 (1)° and that between the pyrazole ring and the chloro-substituted phenyl ring is 72.4 (1)°. The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3. One amino H is disordered equally over two positions. In the crystal structure, the mol­ecules are linked via inter­molecular N—H⋯N hydrogen bonding.[Image: see text]
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spelling pubmed-29612852010-12-30 2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro­phen­yl)meth­yl]malononitrile Zhang, Xin-Ying Li, Xiao-Yan Wang, Xia Li, Dong-Fang Fan, Xue-Sen Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(20)H(16)ClN(5), the dihedral angle between the pyrazole ring and the phenyl ring is 54.7 (1)° and that between the pyrazole ring and the chloro-substituted phenyl ring is 72.4 (1)°. The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3. One amino H is disordered equally over two positions. In the crystal structure, the mol­ecules are linked via inter­molecular N—H⋯N hydrogen bonding.[Image: see text] International Union of Crystallography 2008-04-26 /pmc/articles/PMC2961285/ /pubmed/21202390 http://dx.doi.org/10.1107/S1600536808011562 Text en © Zhang et al. 2008 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
Zhang, Xin-Ying
Li, Xiao-Yan
Wang, Xia
Li, Dong-Fang
Fan, Xue-Sen
2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro­phen­yl)meth­yl]malononitrile
title 2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro­phen­yl)meth­yl]malononitrile
title_full 2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro­phen­yl)meth­yl]malononitrile
title_fullStr 2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro­phen­yl)meth­yl]malononitrile
title_full_unstemmed 2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro­phen­yl)meth­yl]malononitrile
title_short 2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro­phen­yl)meth­yl]malononitrile
title_sort 2-[(5-amino-3-methyl-1-phenyl-1h-pyrazol-4-yl)(4-chloro­phen­yl)meth­yl]malononitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961285/
https://www.ncbi.nlm.nih.gov/pubmed/21202390
http://dx.doi.org/10.1107/S1600536808011562
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