Crystal structure of 3-bromo-4-dimethylamino-1-methyl-1,2,4-triazol-5(4H)-one
نویسندگان
چکیده
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.
منابع مشابه
Synthesis of some new substituted azetidinonyl and thiazolidinonyl quinazolon-4(3H)-ones as potential non-steroidal anti-inflammatory and analgesic agents
A series of 2-(5-(6-Bromo-2-methyl-4-oxoquinazolin-3(4H)-yl)-4H-1,2,4-triazole-3-ylthio)-N-(substituted benzylidene) acetohydrazides (5a-5l) have been synthesized via condensation of 2-(5-(6-Bromo-2-methyl-4-oxaquinazolin-3 (4H)-yl)-4H-1,2,4-triazole-3-ylthio)acetohydrazide (4) with different aromatic aldehydes. Cycloaddition of thioglycolic acid with 5a-5l yielded 2-[5-(6-Bromo-2-methyl-4-oxoq...
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In the title compound, C(17)H(28)N(4)S, the 1,2,4-triazole ring is nearly planar [maximum deviation = 0.005 (2) Å]. There are no significant hydrogen bonds observed in the crystal structure. The crystal studied was a non-merohedral twin, the refined ratio of twin components being 0.281 (3):0.719 (3).
متن کامل1-(4-Chloro-2-fluoro-5-nitrophenyl)-4-difluoromethyl-3-methyl-1H-1,2,4-triazol-5(4H)-one
In the title compound, C(10)H(6)ClF(3)N(4)O(3), the dihedral angle between the benzene ring and the triazolone ring is 59.9 (1)°, while the nitro substituent subtends an angle of 39.5 (1)° to the benzene ring plane. In the crystal, pairs of mol-ecules form inversion dimers via C-H⋯O hydrogen bonds.
متن کامل1-(4-Chloro-2-fluorophenyl)-4-difluoromethyl-3-methyl-1H-1,2,4-triazol-5(4H)-one
In the crystal structure of the title compound, C(10)H(7)ClF(3)N(3)O, pairs of mol-ecules are connected into dimers via pairs of C-H⋯O hydrogen bonds. The dihedral angle between the benzene ring and attached triazolone ring is 53.2 (1)°.
متن کاملThe crystal structures of three 3-methyl-1H-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(E)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione and a redetermination of 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione
The structures of three 3-methyl-1H-1,2,4-triazole-5-thione derivatives are reported. The structure of 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione, C3H6N4S, (I), has been redetermined with an improved model for the H atoms: the non-H atoms of (I) all lie on mirror planes in space group Pbcm, and the H atoms of the methyl group are disordered over two sets of reflection-related atomic sites ...
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عنوان ژورنال:
دوره 71 شماره
صفحات -
تاریخ انتشار 2015