3,5-Diamino-1-phenyl-1,2,4-triazolium bromide

The title salt, C(8)H(10)N(5) (+)·Br(−), crystallizes with two independent structural units in the asymmetric unit. The two independent cations have different conformations, the triazole and phenyl rings forming dihedral angles of 32.57 (6) and 52.27 (7)°. In both cations, the amino groups are plana...

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Detalles Bibliográficos
Autores principales: Chernyshev, V. M., Astakhov, A. V., Ivanov, V. V., Starikova, Z. A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006877/
https://www.ncbi.nlm.nih.gov/pubmed/21587873
http://dx.doi.org/10.1107/S1600536810021318
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author Chernyshev, V. M.
Astakhov, A. V.
Ivanov, V. V.
Starikova, Z. A.
author_facet Chernyshev, V. M.
Astakhov, A. V.
Ivanov, V. V.
Starikova, Z. A.
author_sort Chernyshev, V. M.
collection PubMed
description The title salt, C(8)H(10)N(5) (+)·Br(−), crystallizes with two independent structural units in the asymmetric unit. The two independent cations have different conformations, the triazole and phenyl rings forming dihedral angles of 32.57 (6) and 52.27 (7)°. In both cations, the amino groups are planar (the sum of the angles at the N atom of each amino group is 360°) and conjugated with the triazole ring. Inter­molecular N—H⋯N and N—H⋯Br hydrogen bonds consolidate the crystal packing.
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spelling pubmed-30068772010-12-30 3,5-Diamino-1-phenyl-1,2,4-triazolium bromide Chernyshev, V. M. Astakhov, A. V. Ivanov, V. V. Starikova, Z. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title salt, C(8)H(10)N(5) (+)·Br(−), crystallizes with two independent structural units in the asymmetric unit. The two independent cations have different conformations, the triazole and phenyl rings forming dihedral angles of 32.57 (6) and 52.27 (7)°. In both cations, the amino groups are planar (the sum of the angles at the N atom of each amino group is 360°) and conjugated with the triazole ring. Inter­molecular N—H⋯N and N—H⋯Br hydrogen bonds consolidate the crystal packing. International Union of Crystallography 2010-06-16 /pmc/articles/PMC3006877/ /pubmed/21587873 http://dx.doi.org/10.1107/S1600536810021318 Text en © Chernyshev et al. 2010 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
Chernyshev, V. M.
Astakhov, A. V.
Ivanov, V. V.
Starikova, Z. A.
3,5-Diamino-1-phenyl-1,2,4-triazolium bromide
title 3,5-Diamino-1-phenyl-1,2,4-triazolium bromide
title_full 3,5-Diamino-1-phenyl-1,2,4-triazolium bromide
title_fullStr 3,5-Diamino-1-phenyl-1,2,4-triazolium bromide
title_full_unstemmed 3,5-Diamino-1-phenyl-1,2,4-triazolium bromide
title_short 3,5-Diamino-1-phenyl-1,2,4-triazolium bromide
title_sort 3,5-diamino-1-phenyl-1,2,4-triazolium bromide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006877/
https://www.ncbi.nlm.nih.gov/pubmed/21587873
http://dx.doi.org/10.1107/S1600536810021318
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