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5-Acetyl-4-(4-chloro-phen-yl)-6-methyl-3,4-dihydro-pyrimidine-2(1H)-thione.

ABSTRACT: In the title mol-ecule, C(13)H(13)ClN(2)OS, the heterocyclic ring adopts a flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.92?(10)° with the benzene ring. The thione, acetyl and methyl groups have equatorial orientations with respect to the attached heterocyclic ring. The chloro-phenyl group has an axial orientation. Inter-molecular N-H?O, N-H?S and C-H?O hydrogen bonds are found in the crystal structure.

SUBMITTER: Anuradha N

PROVIDER: S-EPMC2968427 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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5-Acetyl-4-(4-chloro-phen-yl)-6-methyl-3,4-dihydro-pyrimidine-2(1H)-thione.

Anuradha N N Thiruvalluvar A A Pandiarajan K K Chitra S S Butcher R J RJ

Acta crystallographica. Section E, Structure reports online 20090221 Pt 3

In the title mol-ecule, C(13)H(13)ClN(2)OS, the heterocyclic ring adopts a flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.92 (10)° with the benzene ring. The thione, acetyl and methyl groups have equatorial orientations with respect to the attached heterocyclic ring. The chloro-phenyl group has an axial orientation. Inter-molecular N-H⋯O, N-H⋯S and C-H⋯O hydrogen bonds are found in the crystal structure. ...[more]

PMID: 21582221

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