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

ABSTRACT: In the title compound, C(13)H(15)FN(2)S, the dihydro-pyrimidine ring is essentially planar, with a maximum deviation of 0.086?(3)?Å from the mean plane of the rest of the ring for the dimethyl-ated C atom. The benzene ring is almost perpendicular to the dihydro-pyrimidine ring, with a dihedral angle of 83.97?(14)°. The crystal packing is characterized by centrosymmetric dimers resulting from pairs of inter-molecular N-H?S hydrogen bonds. There are also C-H?? inter-actions.

SUBMITTER: Yamin BM

PROVIDER: S-EPMC3152063 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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

Yamin Bohari M BM Lawi Ruhana L RL Salem Halima F HF

Acta crystallographica. Section E, Structure reports online 20110625 Pt 7

In the title compound, C(13)H(15)FN(2)S, the dihydro-pyrimidine ring is essentially planar, with a maximum deviation of 0.086 (3) Å from the mean plane of the rest of the ring for the dimethyl-ated C atom. The benzene ring is almost perpendicular to the dihydro-pyrimidine ring, with a dihedral angle of 83.97 (14)°. The crystal packing is characterized by centrosymmetric dimers resulting from pairs of inter-molecular N-H⋯S hydrogen bonds. There are also C-H⋯π inter-actions. ...[more]

PMID: 21837181

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