Crystal structure of 1-ethylpyrazolo[3,4-d]pyrimidine-4(5H)-thione

Abstract

In the title compound, C7H8N4S, the methyl C atom is displaced by 1.232 (7) Å from the mean plane of the pyrazolo[3,4-d]pyrimidine ring system (r.m.s. deviation = 0.007 Å). The N—N—C—Cm (m = methyl) torsion angle is −60.3 (6)°. In the crystal, molecules are linked by N—H...S hydrogen bonds, generating [010] chains, which are reinforced by C—H...N interactions. The chains are cross-linked by weak C—H...S hydrogen bonds, generating (001) sheets.

Keywords

• crystal structure
• pyrazolo[3,4-d]pyrimidine
• biological activity
• hydrogen bonding