Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thiophen-2-yl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate

• Main Authors: N. L. Prasad, M. S. Krishnamurthy, Noor Shahina Begum
• Format: Article
• Language: English
• Published: International Union of Crystallography 2015-07-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; fused pyrimidine derivative; hydrogen bonding; C—H...π interactions; π–π interactions
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989015010981

In the title compound, C17H18N2O3S2, the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thiophene ring as the flap [deviation = 0.439 (3) Å]. The plane of the thiophene ring lies almost normal to the pyrimidine ring, making a dihedral angle of 79.36 (19)°. In the crystal, pairs of very weak C—H...O hydrogen bonds link the molecules related by twofold rotation axes, forming R22(18) rings, which are in turn linked by another C—H...O interaction, forming chains of rings along [010]. In addition, weak C—H...π(thiophene) interactions link the chains into layers parallel to [001] and π–π interactions with a centroid–centroid distance of 3.772 (10) Å connect these layers into a three-dimensional network.