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

ABSTRACT: In the title compound, C(14)H(15)BrN(2)O(3), the dihydro-pyrimidin-one ring adopts a boat conformation. In the crystal, adjacent mol-ecules are linked through N-H?O hydrogen bonds forming an R(2) (2)(8) ring motif and generating a zigzag chain extending in [010].

SUBMITTER: Yuvaraj H

PROVIDER: S-EPMC3011541 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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

Yuvaraj Haldorai H Sundaramoorthy S S Velmurugan D D Kalkhambkar Rajesh G RG

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

In the title compound, C(14)H(15)BrN(2)O(3), the dihydro-pyrimidin-one ring adopts a boat conformation. In the crystal, adjacent mol-ecules are linked through N-H⋯O hydrogen bonds forming an R(2) (2)(8) ring motif and generating a zigzag chain extending in [010]. ...[more]

PMID: 21589601

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Project description:In the title compound, C(14)H(16)N(2)O(4)·H(2)O, the dihedral angles between the planes of the 4-hydroxy-phenyl and ester groups with the plane of the six-membered tetra-hydro-pyrimidine ring are 87.3?(1) and 75.9?(1)°, respectively. The crystal structure is stabilized by O-H?O and N-H?O hydrogen bonding between the water mol-ecule and the organic functionalities.

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Project description:In the title compound, C(14)H(15)ClN(2)O(2)S, the tetra-hydro-pyrimidine ring adopts a twisted boat conformation with the carbonyl group in an s-trans conformation with respect to the C=C double bond of the six-membered tetra-hydro-pyrimidine ring. The mol-ecular conformation is determined by an intra-molecular C-H?? inter-action. The crystal structure is further stabilized by inter-molecular N-H?O mol-ecular chains and centrosymmetric N-H?S dimers.

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