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Ethyl 4-(4-cyano-phen-yl)-6-methyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

ABSTRACT: The asymmetric unit of the title compound, C(15)H(15)N(3)O(2)S, contains two independent mol-ecules corresponding to the R and S enanti-omers. The dihydro-pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700?(7) and 0.300?(7). In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen-bonding inter-actions into one-dimensional chains along the c-axis direction. The chains are further connected by N-H?S hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Wu DH

PROVIDER: S-EPMC2977496 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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Ethyl 4-(4-cyano-phen-yl)-6-methyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Wu De-Hong DH Zhang You-Hong YH Li Zhu-Feng ZF

Acta crystallographica. Section E, Structure reports online 20090701 Pt 8

The asymmetric unit of the title compound, C(15)H(15)N(3)O(2)S, contains two independent mol-ecules corresponding to the R and S enanti-omers. The dihydro-pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700 (7) and 0.300 (7). In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O hydrogen-bonding inter-actions into one-dimensional chains along the c-axis direction. The chains are fur ...[more]

PMID: 21583448

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