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Crystal structure of 4-methyl-sulfanyl-2-phenyl-quinazoline.

ABSTRACT: In the title compound, C15H12N2S, the methylthioquinazoline group is planar with the methyl C displaced by only 0.116?(3)?Å from the plane of the quinazoline moiety. The dihedral angle between the phenyl ring and the quinazoline ring system is 13.95?(5)°. In the crystal, each molecule is linked by ?-? stacking between to two adjacent inversion-related molecules. On one side, the inverted quinazoline groups interact with a centroid-centroid distance of 3.7105?(9)?Å. On the other side, the quinazoline group interacts with the pyrimidine and phenyl rings of the second neighbour with centroid-centroid distances of 3.5287?(8) and 3.8601?(9)?Å, respectively.

SUBMITTER: Alshammari MB 

PROVIDER: S-EPMC4158504 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 4-methyl-sulfanyl-2-phenyl-quinazoline.

Alshammari Mohammed B MB   Smith Keith K   Hegazy Amany S AS   Kariuki Benson M BM   El-Hiti Gamal A GA  

Acta crystallographica. Section E, Structure reports online 20140723 Pt 8

In the title compound, C15H12N2S, the methylthioquinazoline group is planar with the methyl C displaced by only 0.116 (3) Å from the plane of the quinazoline moiety. The dihedral angle between the phenyl ring and the quinazoline ring system is 13.95 (5)°. In the crystal, each molecule is linked by π-π stacking between to two adjacent inversion-related molecules. On one side, the inverted quinazoline groups interact with a centroid-centroid distance of 3.7105 (9) Å. On the other side, the quinazo  ...[more]

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