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Crystal structure of 3-bromo-4-di-methyl-amino-1-methyl-1,2,4-triazol-5(4H)-one. 2015

Gerhard Laus, and Thomas Gelbrich, and Klaus Wurst, and Herwig Schottenberger
Faculty of Chemistry and Pharmacy, University of Innsbruck, 6020 Innsbruck, Austria.

The title compound, C5H9BrN4O, was obtained as a minor by-product in the synthesis of 4-di-methyl-amino-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 mol-ecules are linked by C-Br⋯O=C inter-actions [Br⋯O = 2.877 (2) Å, C-Br⋯O = 174.6 (1)°] into infinite chains in the c-axis direction.

UI MeSH Term Description Entries

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