7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine

• Main Authors: Mohamed Ziaulla, Afshan Banu, Noor Shahina Begum, Shridhar I. Panchamukhi, I. M. Khazi
• Format: Article
• Language: English
• Published: International Union of Crystallography 2011-07-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536811021155

In the title compound, C11H13N3S, two of the C atoms of the cyclohexene ring and the methyl group attached to it are disordered over two sets of sites in a 0.544 (2):0.456 (2) ratio. The benzothiene and pyrimidine rings are almost coplanar with an angular tilt of 2.371 (9)° between them. The thiophene ring is essentially planar (r.m.s. deviation 0.05 Å), while the cyclohexene ring in both the major- and minor-occupancy conformers adopts a half-chair conformation. In the crystal structure, pairs of intermolecular N—H...N hydrogen bonds involving the amino groups result in centrosymmetric head-to-head dimers about inversion centres, corresponding to an R22(8) graph-set motif. Further, N—H...N hydrogen bonding generates a two-dimensional hydrogen-bonded network perpendicular to the ac plane and running along the diagonal of the ac plane.