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Ethyl 7-(4-bromo-phen-yl)-5-trifluoro-methyl-4,7-dihydro-tetra-zolo[1,5-a]pyrimidine-6-carboxyl-ate.

ABSTRACT: 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.

SUBMITTER: Shen SD

PROVIDER: S-EPMC3008060 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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Ethyl 7-(4-bromo-phen-yl)-5-trifluoro-methyl-4,7-dihydro-tetra-zolo[1,5-a]pyrimidine-6-carboxyl-ate.

Shen Shi-De SD Feng Xiao-Dong XD Yang Wei-Hua WH Yao Chang-Sheng CS

Acta crystallographica. Section E, Structure reports online 20100828 Pt 9

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. ...[more]

PMID: 21588746

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Ethyl (2Z)-2-(3-methoxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

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Crystal structure of (S)-5,7-diphenyl-4,7-di-hydro-tetra-zolo[1,5-a]pyrimidine.

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