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

Mohammed B Alshammari; Keith Smith; Amany S Hegazy; Benson M Kariuki; Gamal A El-Hiti

doi:10.1107/S1600536814015657

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

Acta Crystallogr Sect E Struct Rep Online. 2014 Jul 23;70(Pt 8):o919-20. doi: 10.1107/S1600536814015657. eCollection 2014 Aug 1.

Authors

Mohammed B Alshammari¹, Keith Smith², Amany S Hegazy², Benson M Kariuki², Gamal A El-Hiti³

Affiliations

¹ Chemistry Department, College of Sciences and Humanities, Salman bin Abdulaziz University, PO Box 83, Al-Kharij 11942, Saudi Arabia.
² School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, UK.
³ Cornea Research Chair, Department of Optometry, College of Applied Medical Sciences, King Saud University, PO Box 10219, Riyadh 11433, Saudi Arabia.

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 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 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.

Keywords: crystal structure; methylthioquinazoline; π–π stacking.