N (3)-[(E)-Morpholin-4-yl­methyl­idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate

In the title compound, C(13)H(16)N(6)O·H(2)O, the mean planes of the benzene and 1,2,4-triazole rings form a dihedral angle of 54.80 (5)°. The N atom of the amino group adopts a trigonal–pyramidal configuration. Conjugation in the amidine N=C—N fragment results in sufficient shortening of the formal...

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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/PMC3011646/
https://www.ncbi.nlm.nih.gov/pubmed/21589534
http://dx.doi.org/10.1107/S160053681004729X
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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 In the title compound, C(13)H(16)N(6)O·H(2)O, the mean planes of the benzene and 1,2,4-triazole rings form a dihedral angle of 54.80 (5)°. The N atom of the amino group adopts a trigonal–pyramidal configuration. Conjugation in the amidine N=C—N fragment results in sufficient shortening of the formal single bond. In the crystal, inter­molecular N—H⋯O and O—H⋯N hydrogen bonds link mol­ecules into double layers parallel to the bc plane.
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spelling pubmed-30116462010-12-30 N (3)-[(E)-Morpholin-4-yl­methyl­idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate Chernyshev, V. M. Astakhov, A. V. Ivanov, V. V. Starikova, Z. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(16)N(6)O·H(2)O, the mean planes of the benzene and 1,2,4-triazole rings form a dihedral angle of 54.80 (5)°. The N atom of the amino group adopts a trigonal–pyramidal configuration. Conjugation in the amidine N=C—N fragment results in sufficient shortening of the formal single bond. In the crystal, inter­molecular N—H⋯O and O—H⋯N hydrogen bonds link mol­ecules into double layers parallel to the bc plane. International Union of Crystallography 2010-11-20 /pmc/articles/PMC3011646/ /pubmed/21589534 http://dx.doi.org/10.1107/S160053681004729X 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.
N (3)-[(E)-Morpholin-4-yl­methyl­idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate
title N (3)-[(E)-Morpholin-4-yl­methyl­idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate
title_full N (3)-[(E)-Morpholin-4-yl­methyl­idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate
title_fullStr N (3)-[(E)-Morpholin-4-yl­methyl­idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate
title_full_unstemmed N (3)-[(E)-Morpholin-4-yl­methyl­idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate
title_short N (3)-[(E)-Morpholin-4-yl­methyl­idene]-1-phenyl-1H-1,2,4-triazole-3,5-diamine monohydrate
title_sort n (3)-[(e)-morpholin-4-yl­methyl­idene]-1-phenyl-1h-1,2,4-triazole-3,5-diamine monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011646/
https://www.ncbi.nlm.nih.gov/pubmed/21589534
http://dx.doi.org/10.1107/S160053681004729X
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