Ethyl 7-(4-bromophenyl)-5-trifluoromethyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
نویسندگان
چکیده
In the title compound, C(14)H(11)BrF(3)N(5)O(2), the pyrimidine ring adopts a flattened envelope conformation with sp(3)-hybridized carbon as the flap [deviation = 0.177 (3) Å]. The dihedral angle between tetra-zole and bromo-phenyl rings is 84.3 (1)°. In the crystal, mol-ecules are linked into centrosymmetric dimers by pairs of N-H⋯N hydrogen bonds.
منابع مشابه
Ethyl 5-chloromethyl-2-methylsulfanyl-7-phenyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
In the title compound, C(16)H(17)ClN(4)O(2)S, the bicyclic triazolopyrimidine ring system is nearly planar and oriented with respect to the benzene ring at a dihedral angle of 87.24 (3)°. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers; an intra-molecular C-H⋯O hydrogen bond is also present.
متن کاملEthyl 7-(2-chlorophenyl)-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
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.
متن کاملEthyl 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 کاملrac-Ethyl 4-hydroxy-6-(2-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)perhydropyrimidine-5-carboxylate
In the title compound, C(14)H(15)F(3)N(2)O(5), prepared by reaction of 2-hy-droxy-benzaldehyde, ethyl 4,4,4-trifluoro-3-oxobutano-ate and urea, the tetra-pyrimidine ring adopts a half-chair conformation. The crystal structure is stabilized by five inter-molecular hydrogen bonds, three O-H⋯O and two N-H⋯O, giving cyclic dimers (through three hydrogen bonds) which are further extended into a two-...
متن کاملEthyl 6-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate
In the title compound, C(14)H(14)F(4)N(2)O(3)S, the hexa-hydro-pyrimidine ring adopts a half-chair conformation. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen bond, generating an S(6) ring. The crystal structure features O-H⋯S and N-H⋯S hydrogen bonds.
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عنوان ژورنال:
دوره 66 شماره
صفحات -
تاریخ انتشار 2010