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Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

ABSTRACT: In the title compound, C(18)H(19)ClN(4)O(3), the dihydro-pyrimidin-one ring adopts a flattened boat conformation. The dihedral angle between the phenyl and pyrazole rings is 43.39?(6)°. An intra-molecular C-H?O contact generates an S(8) ring motif that stabilizes the mol-ecular conformation and precludes the carbonyl O atom of the ester group from forming inter-molecular inter-actions. Mol-ecules are linked into centrosymmetric dimers by pairs of N-H?O hydrogen bonds and the dimers are linked into infinite chains along [101] by N-H?N hydrogen bonds.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2969568 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Fun Hoong-Kun HK Yeap Chin Sing CS Sujith K V KV Kalluraya B B

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

In the title compound, C(18)H(19)ClN(4)O(3), the dihydro-pyrimidin-one ring adopts a flattened boat conformation. The dihedral angle between the phenyl and pyrazole rings is 43.39 (6)°. An intra-molecular C-H⋯O contact generates an S(8) ring motif that stabilizes the mol-ecular conformation and precludes the carbonyl O atom of the ester group from forming inter-molecular inter-actions. Mol-ecules are linked into centrosymmetric dimers by pairs of N-H⋯O hydrogen bonds and the dimers are linked in ...[more]

PMID: 21583097

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