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
Descripción
Sumario: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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