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

ABSTRACT: In the title mol-ecule, C(14)H(16)N(2)O(2)S, the heterocyclic ring adopts an envelope conformation with the plane through the five coplanar atoms making a dihedral angle of 88.99?(4)° with the benzene ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter-molecular N-H?S, N-H?O, C-H?O and C-H?S hydrogen bonds are found in the crystal structure.

SUBMITTER: Anuradha N

PROVIDER: S-EPMC2972144 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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5-Acetyl-4-(4-methoxy-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 20091107 Pt 12

In the title mol-ecule, C(14)H(16)N(2)O(2)S, the heterocyclic ring adopts an envelope conformation with the plane through the five coplanar atoms making a dihedral angle of 88.99 (4)° with the benzene ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter-molecular N-H⋯S, N-H⋯O, C-H⋯O and C-H⋯S hydrogen bonds are found in the crystal structure. ...[more]

PMID: 21578771

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