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Crystal structure of 1-ethyl-pyrazolo[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 = meth-yl) torsion angle is -60.3?(6)°. In the crystal, mol-ecules are linked by N-H?S hydrogen bonds, generating [010] chains, which are reinforced by C-H?N inter-actions. The chains are cross-linked by weak C-H?S hydrogen bonds, generating (001) sheets.

SUBMITTER: El Fal M

PROVIDER: S-EPMC4186190 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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

El Fal Mohammed M Ramli Youssef Y Essassi El Mokhtar el M Saadi Mohamed M El Ammari Lahcen L

Acta crystallographica. Section E, Structure reports online 20140816 Pt 9

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 = meth-yl) torsion angle is -60.3 (6)°. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds, generating [010] chains, which are reinforced by C-H⋯N inter-actions. The chains are cross-linked by weak C-H⋯S hydrogen bonds, generating (001) sheets. ...[more]

PMID: 25309193

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