Ethyl 7-(2-chlorophenyl)-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
نویسندگان
چکیده
In the title compound, C(15)H(12)ClF(3)N(4)O(2), the dihydro-pyrimidine ring exhibits an envelope conformation. The dihedral angle between the mean planes of the dihydro-pyrimidine and phenyl rings is 83.94 (6)°. The OCH(2)CH(3) group is disordered over two sites with occupancies of 0.155 (3) and 0.845 (3). The crystal packing is stabilized by inter-molecular N-H⋯N hydrogen bonds.
منابع مشابه
Ethyl 2-benzylsulfanyl-7-(2-chlorophenyl)-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
In the title compound, C(22)H(21)ClN(4)O(2)S, the bicyclic triazolopyrimidine ring system is nearly planar, and oriented at dihedral angles of 89.45 (3)° with respect to the chlorobenzene ring and 87.03 (3)° with respect to the terminal phenyl ring. In the crystal structure, mol-ecules are linked by π-π stacking inter-actions between the triazolopyrimidine rings [centroid-centroid distances of ...
متن کاملEthyl 5-chloromethyl-2-methylsulfanyl-7-phenyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
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Accurate ab initio calculations at the B3LYP/6-311 G** level have been performed on anionic and neutral structures of 4,5-dihydro-5-oxo[1,2,4]triazolo[1,5-a]pyrimidine, 4,7-dihydro-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine, and 4,5-dihydro-7-amino-5-oxo[1,2,4]triazolo[1,5-a]pyrimidine compounds. The quality of the theoretical results has been tested against the experimental X-ray structures for the...
متن کاملEthyl 7-Methyl-1-(4-nitrophenyl)-5-phenyl-3- (thiophen-2-yl)-1,5-dihydro-[1,2,4]triazolo [4,3-a]pyrimidine-6-carboxylate
A novel compound, ethyl 7-methyl-1-(4-nitrophenyl)-5-phenyl-3-(thiophen-2-yl)-1,5dihydro[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate (7) was synthesized by reaction of N-(4nitrophenyl)thiophene-2-carbohydrazonoyl chloride (1) with ethyl 6-methyl-4-phenyl-2-thioxo1,2,3,4-tetrahydropyrimidine-5-carboxylate (2). The mechanism of the studied reaction is discussed and the assigned structure was co...
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عنوان ژورنال:
دوره 66 شماره
صفحات -
تاریخ انتشار 2010