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Crystal structure of 4-methylsulfanyl-2-phenylquinazoline

Alshammari, Mohammed B., Smith, Keith, Hegazy, Amany S., Kariuki, Benson and El-Hiti, Gamal A. 2014. Crystal structure of 4-methylsulfanyl-2-phenylquinazoline. Acta Crystallographica Section E - Structure Reports Online 70 (8) , o919. 10.1107/S1600536814015657

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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 [pi]-[pi] 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.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Cardiff Catalysis Institute (CCI)
Subjects: Q Science > QD Chemistry
Publisher: International Union of Crystallography
ISSN: 1600-5368
Last Modified: 18 Feb 2019 15:53

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