3,5,3′,5′-Tetra­methyl-4,4′-bi(1H-pyrazol­yl) hemihydrate

In the title compound, C(10)H(14)N(4)·0.5H(2)O, the amino H atom of one of the two pyrazole rings is disordered over its two N atoms in a 1:1 ratio. The pyrazole rings are aligned at 60.1 (1)°. In the crystal, two bipyrazolyl mol­ecules are linked by an N—H⋯N hydrogen bond, generating a dimer; the d...

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Detalles Bibliográficos
Autores principales: Jin, Shouwen, Huang, Yanfei, Fang, Hao, Wang, Tianyi, Ding, Liangliang
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/PMC3470248/
https://www.ncbi.nlm.nih.gov/pubmed/23125692
http://dx.doi.org/10.1107/S1600536812037920
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author Jin, Shouwen
Huang, Yanfei
Fang, Hao
Wang, Tianyi
Ding, Liangliang
author_facet Jin, Shouwen
Huang, Yanfei
Fang, Hao
Wang, Tianyi
Ding, Liangliang
author_sort Jin, Shouwen
collection PubMed
description In the title compound, C(10)H(14)N(4)·0.5H(2)O, the amino H atom of one of the two pyrazole rings is disordered over its two N atoms in a 1:1 ratio. The pyrazole rings are aligned at 60.1 (1)°. In the crystal, two bipyrazolyl mol­ecules are linked by an N—H⋯N hydrogen bond, generating a dimer; the dimer is connected to the water mol­ecule, which lies on a twofold rotation axis, resulting in the formation of a chain that makes an angle of ca 45.3 (1)° with the ab plane. The chains are cross-linked by N—H⋯O and O—H⋯N inter­actions, forming a three-dimensional network.
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spelling pubmed-34702482012-11-02 3,5,3′,5′-Tetra­methyl-4,4′-bi(1H-pyrazol­yl) hemihydrate Jin, Shouwen Huang, Yanfei Fang, Hao Wang, Tianyi Ding, Liangliang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(14)N(4)·0.5H(2)O, the amino H atom of one of the two pyrazole rings is disordered over its two N atoms in a 1:1 ratio. The pyrazole rings are aligned at 60.1 (1)°. In the crystal, two bipyrazolyl mol­ecules are linked by an N—H⋯N hydrogen bond, generating a dimer; the dimer is connected to the water mol­ecule, which lies on a twofold rotation axis, resulting in the formation of a chain that makes an angle of ca 45.3 (1)° with the ab plane. The chains are cross-linked by N—H⋯O and O—H⋯N inter­actions, forming a three-dimensional network. International Union of Crystallography 2012-09-08 /pmc/articles/PMC3470248/ /pubmed/23125692 http://dx.doi.org/10.1107/S1600536812037920 Text en © Jin 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
Jin, Shouwen
Huang, Yanfei
Fang, Hao
Wang, Tianyi
Ding, Liangliang
3,5,3′,5′-Tetra­methyl-4,4′-bi(1H-pyrazol­yl) hemihydrate
title 3,5,3′,5′-Tetra­methyl-4,4′-bi(1H-pyrazol­yl) hemihydrate
title_full 3,5,3′,5′-Tetra­methyl-4,4′-bi(1H-pyrazol­yl) hemihydrate
title_fullStr 3,5,3′,5′-Tetra­methyl-4,4′-bi(1H-pyrazol­yl) hemihydrate
title_full_unstemmed 3,5,3′,5′-Tetra­methyl-4,4′-bi(1H-pyrazol­yl) hemihydrate
title_short 3,5,3′,5′-Tetra­methyl-4,4′-bi(1H-pyrazol­yl) hemihydrate
title_sort 3,5,3′,5′-tetra­methyl-4,4′-bi(1h-pyrazol­yl) hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470248/
https://www.ncbi.nlm.nih.gov/pubmed/23125692
http://dx.doi.org/10.1107/S1600536812037920
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