2-(4-Chloro­benzo­yl)-1-(diamino­methyl­ene)hydrazinium chloride monohydrate

In the cation of the title compound, C(8)H(10)ClN(4)O(+)·Cl(−)·H(2)O, the guanidinium group is planar (maximum deviation = 0.0001 Å) and nearly perpendicular to carboxamide group, making a dihedral angle of 87.0 (3)°. The N atoms of the guanidine fragment have a planar trigonal configuration and the...

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Detalles Bibliográficos
Autores principales: Chernyshev, V. M., Chernysheva, A. V., Tarasova, E. 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/PMC2979199/
https://www.ncbi.nlm.nih.gov/pubmed/21579199
http://dx.doi.org/10.1107/S1600536810014108
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author Chernyshev, V. M.
Chernysheva, A. V.
Tarasova, E. V.
Ivanov, V. V.
Starikova, Z. A.
author_facet Chernyshev, V. M.
Chernysheva, A. V.
Tarasova, E. V.
Ivanov, V. V.
Starikova, Z. A.
author_sort Chernyshev, V. M.
collection PubMed
description In the cation of the title compound, C(8)H(10)ClN(4)O(+)·Cl(−)·H(2)O, the guanidinium group is planar (maximum deviation = 0.0001 Å) and nearly perpendicular to carboxamide group, making a dihedral angle of 87.0 (3)°. The N atoms of the guanidine fragment have a planar trigonal configuration and the N atom of the carboxamide group adopts a pyramidal configuration. In the crystal structure, inter­molecular N—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds link the cations, anions and water mol­ecules into layers parallel to the bc plane.
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spelling pubmed-29791992010-12-30 2-(4-Chloro­benzo­yl)-1-(diamino­methyl­ene)hydrazinium chloride monohydrate Chernyshev, V. M. Chernysheva, A. V. Tarasova, E. V. Ivanov, V. V. Starikova, Z. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title compound, C(8)H(10)ClN(4)O(+)·Cl(−)·H(2)O, the guanidinium group is planar (maximum deviation = 0.0001 Å) and nearly perpendicular to carboxamide group, making a dihedral angle of 87.0 (3)°. The N atoms of the guanidine fragment have a planar trigonal configuration and the N atom of the carboxamide group adopts a pyramidal configuration. In the crystal structure, inter­molecular N—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds link the cations, anions and water mol­ecules into layers parallel to the bc plane. International Union of Crystallography 2010-04-24 /pmc/articles/PMC2979199/ /pubmed/21579199 http://dx.doi.org/10.1107/S1600536810014108 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.
Chernysheva, A. V.
Tarasova, E. V.
Ivanov, V. V.
Starikova, Z. A.
2-(4-Chloro­benzo­yl)-1-(diamino­methyl­ene)hydrazinium chloride monohydrate
title 2-(4-Chloro­benzo­yl)-1-(diamino­methyl­ene)hydrazinium chloride monohydrate
title_full 2-(4-Chloro­benzo­yl)-1-(diamino­methyl­ene)hydrazinium chloride monohydrate
title_fullStr 2-(4-Chloro­benzo­yl)-1-(diamino­methyl­ene)hydrazinium chloride monohydrate
title_full_unstemmed 2-(4-Chloro­benzo­yl)-1-(diamino­methyl­ene)hydrazinium chloride monohydrate
title_short 2-(4-Chloro­benzo­yl)-1-(diamino­methyl­ene)hydrazinium chloride monohydrate
title_sort 2-(4-chloro­benzo­yl)-1-(diamino­methyl­ene)hydrazinium chloride monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979199/
https://www.ncbi.nlm.nih.gov/pubmed/21579199
http://dx.doi.org/10.1107/S1600536810014108
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