Crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4H)-one

The title compound, C(5)H(9)BrN(4)O, was obtained as a minor by-product in the synthesis of 4-di­methyl­amino-1-methyl-1,2,4-triazolin-5-one. Except for the methyl groups of the 4-dimethylamino moiety, all the non-H atoms lie on a crystallographic mirror plane." In the crystal, the mol­ecules a...

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Detalles Bibliográficos
Autores principales: Laus, Gerhard, Gelbrich, Thomas, Wurst, Klaus, Schottenberger, Herwig
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331846/
https://www.ncbi.nlm.nih.gov/pubmed/25705486
http://dx.doi.org/10.1107/S205698901402636X
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author Laus, Gerhard
Gelbrich, Thomas
Wurst, Klaus
Schottenberger, Herwig
author_facet Laus, Gerhard
Gelbrich, Thomas
Wurst, Klaus
Schottenberger, Herwig
author_sort Laus, Gerhard
collection PubMed
description The title compound, C(5)H(9)BrN(4)O, was obtained as a minor by-product in the synthesis of 4-di­methyl­amino-1-methyl-1,2,4-triazolin-5-one. Except for the methyl groups of the 4-dimethylamino moiety, all the non-H atoms lie on a crystallographic mirror plane." In the crystal, the mol­ecules are linked by C—Br⋯O=C inter­actions [Br⋯O = 2.877 (2) Å, C—Br⋯O = 174.6 (1)°] into infinite chains in the c-axis direction.
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spelling pubmed-43318462015-02-20 Crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4H)-one Laus, Gerhard Gelbrich, Thomas Wurst, Klaus Schottenberger, Herwig Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(5)H(9)BrN(4)O, was obtained as a minor by-product in the synthesis of 4-di­methyl­amino-1-methyl-1,2,4-triazolin-5-one. Except for the methyl groups of the 4-dimethylamino moiety, all the non-H atoms lie on a crystallographic mirror plane." In the crystal, the mol­ecules are linked by C—Br⋯O=C inter­actions [Br⋯O = 2.877 (2) Å, C—Br⋯O = 174.6 (1)°] into infinite chains in the c-axis direction. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331846/ /pubmed/25705486 http://dx.doi.org/10.1107/S205698901402636X Text en © Laus et al. 2015 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 Data Reports
Laus, Gerhard
Gelbrich, Thomas
Wurst, Klaus
Schottenberger, Herwig
Crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4H)-one
title Crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4H)-one
title_full Crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4H)-one
title_fullStr Crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4H)-one
title_full_unstemmed Crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4H)-one
title_short Crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4H)-one
title_sort crystal structure of 3-bromo-4-di­methyl­amino-1-methyl-1,2,4-triazol-5(4h)-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331846/
https://www.ncbi.nlm.nih.gov/pubmed/25705486
http://dx.doi.org/10.1107/S205698901402636X
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