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1-(4-Chloro-phen-yl)-4,4,6-trimethyl-3,4-dihydro-pyrimidine-2(1H)-thione.

ABSTRACT: The dihydro-pyrimidine ring of the title compound, C(13)H(15)ClN(2)S, adopts an envelope conformation with five almost coplanar atoms (r.m.s. deviation = 0.054?Å) and the C atom bearing the two methyl substituents deviating from this plane by 0.441?(2)?Å. The best plane through the five almost coplanar atoms forms a dihedral angle of 89.56?(5)° with the benzene ring. The crystal packing is characterized by centrosymmetric dimers connected by pairs of N-H?S hydrogen bonds.

SUBMITTER: Saeed A

PROVIDER: S-EPMC2979773 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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1-(4-Chloro-phen-yl)-4,4,6-trimethyl-3,4-dihydro-pyrimidine-2(1H)-thione.

Saeed Aamer A Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20100123 Pt 2

The dihydro-pyrimidine ring of the title compound, C(13)H(15)ClN(2)S, adopts an envelope conformation with five almost coplanar atoms (r.m.s. deviation = 0.054 Å) and the C atom bearing the two methyl substituents deviating from this plane by 0.441 (2) Å. The best plane through the five almost coplanar atoms forms a dihedral angle of 89.56 (5)° with the benzene ring. The crystal packing is characterized by centrosymmetric dimers connected by pairs of N-H⋯S hydrogen bonds. ...[more]

PMID: 21579855

Similar Datasets

1-(3-Chloro-phen-yl)-4,4,6-trimethyl-3,4-dihydro-pyrimidine-2(1H)-thione.

Project description:In the title compound, C(13)H(15)ClN(2)S, the dihydro-pyrimidine ring is essentially planar, with a maximum deviation from the least-squares plane of 0.122?(3)?Å for the unsubstitued olefinic C atom. The dihedral angle between the dihydro-pyrimidine and benzene rings is 86.62?(13)°. The crystal structure is stabilized by inter-molecular N-H?S hydrogen bonds, which form centrosymmetric dimers arranged along the c axis.

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