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2-Amino-4-(4-bromo-phen-yl)-8-trifluoro-methyl-3,4-dihydropyrimido[1,2-a][1,3,5]triazin-6(5H)-one.

ABSTRACT: The title compound, C(13)H(9)BrF(3)N(5)O, crystallizes with two independent mol-ecules in the asymmetric unit. The pyrimidine rings of the mol-ecules are planar [maximum deviations 0.053?(3) and 0.012?(3)?Å], while the triazine rings adopt flattened half-boat conformations with the p-bromo-phenyl rings in the flagpole positions. The crystal packing is stabilized by a three-dimensional network of inter-molecular N-H?N, N-H?O and N-H?F hydrogen bonds.

SUBMITTER: Dolzhenko AV

PROVIDER: S-EPMC2969032 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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2-Amino-4-(4-bromo-phen-yl)-8-trifluoro-methyl-3,4-dihydropyrimido[1,2-a][1,3,5]triazin-6(5H)-one.

Dolzhenko Anton V AV Sachdeva Nikhil N Tan Geok Kheng GK Koh Lip Lin LL Chui Wai Keung WK

Acta crystallographica. Section E, Structure reports online 20090306 Pt 4

The title compound, C(13)H(9)BrF(3)N(5)O, crystallizes with two independent mol-ecules in the asymmetric unit. The pyrimidine rings of the mol-ecules are planar [maximum deviations 0.053 (3) and 0.012 (3) Å], while the triazine rings adopt flattened half-boat conformations with the p-bromo-phenyl rings in the flagpole positions. The crystal packing is stabilized by a three-dimensional network of inter-molecular N-H⋯N, N-H⋯O and N-H⋯F hydrogen bonds. ...[more]

PMID: 21582426

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