A second ortho­rhom­bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine

The present crystal structure is the second ortho­rhom­bic polymorph of the title compound, C(14)H(12)N(4). Whereas the structure in Pnma with Z′ = 0.5 is already known [Ikemi et al. (2002 ▶). Heterocycl. Commun. 8, 439–442], the present structure crystallizes in the space group Pbca with Z′ = 1. Th...

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Detalles Bibliográficos
Autores principales: Zhang, Ya-Wen, Wang, Jian-Quan, Cheng, Lin
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970008/
https://www.ncbi.nlm.nih.gov/pubmed/21577657
http://dx.doi.org/10.1107/S1600536809033807
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author Zhang, Ya-Wen
Wang, Jian-Quan
Cheng, Lin
author_facet Zhang, Ya-Wen
Wang, Jian-Quan
Cheng, Lin
author_sort Zhang, Ya-Wen
collection PubMed
description The present crystal structure is the second ortho­rhom­bic polymorph of the title compound, C(14)H(12)N(4). Whereas the structure in Pnma with Z′ = 0.5 is already known [Ikemi et al. (2002 ▶). Heterocycl. Commun. 8, 439–442], the present structure crystallizes in the space group Pbca with Z′ = 1. The dihedral angle between the two phenyl rings is 23.5 (4)° and the dihedral angles between central ring and the phenyl rings are 41.0 (3) and 26.3 (5)°. In the 4-amino-1,2,4-trizole fragment, the C=N distances are 1.321 (3) and 1.315 (3) Å, which are much shorter than the C—N distances of 1.367 (3) and 1.357 (3) Å. In the crystal, adjacent mol­ecules are linked by N—H⋯N hydrogen bonds.
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spelling pubmed-29700082010-12-30 A second ortho­rhom­bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine Zhang, Ya-Wen Wang, Jian-Quan Cheng, Lin Acta Crystallogr Sect E Struct Rep Online Organic Papers The present crystal structure is the second ortho­rhom­bic polymorph of the title compound, C(14)H(12)N(4). Whereas the structure in Pnma with Z′ = 0.5 is already known [Ikemi et al. (2002 ▶). Heterocycl. Commun. 8, 439–442], the present structure crystallizes in the space group Pbca with Z′ = 1. The dihedral angle between the two phenyl rings is 23.5 (4)° and the dihedral angles between central ring and the phenyl rings are 41.0 (3) and 26.3 (5)°. In the 4-amino-1,2,4-trizole fragment, the C=N distances are 1.321 (3) and 1.315 (3) Å, which are much shorter than the C—N distances of 1.367 (3) and 1.357 (3) Å. In the crystal, adjacent mol­ecules are linked by N—H⋯N hydrogen bonds. International Union of Crystallography 2009-08-29 /pmc/articles/PMC2970008/ /pubmed/21577657 http://dx.doi.org/10.1107/S1600536809033807 Text en © Zhang et al. 2009 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, Ya-Wen
Wang, Jian-Quan
Cheng, Lin
A second ortho­rhom­bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine
title A second ortho­rhom­bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine
title_full A second ortho­rhom­bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine
title_fullStr A second ortho­rhom­bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine
title_full_unstemmed A second ortho­rhom­bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine
title_short A second ortho­rhom­bic polymorph of 3,5-diphenyl-4H-1,2,4-triazol-4-amine
title_sort second ortho­rhom­bic polymorph of 3,5-diphenyl-4h-1,2,4-triazol-4-amine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970008/
https://www.ncbi.nlm.nih.gov/pubmed/21577657
http://dx.doi.org/10.1107/S1600536809033807
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