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Crystal structure of 4-allyl-sulfanyl-1H-pyrazolo-[3,4-d]pyrimidine.

ABSTRACT: In the title compound, C8H8N4S, the pyrazolo-[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025?(3)?Å. The allyl group is disordered over two sites in a 0.512?(6):0.488?(6) ratio. In the crystal, mol-ecules are linked by pairs of N-H?N hydrogen bonds, forming inversion dimers with an R 2 (2)(8) graph-set motif.

SUBMITTER: El Fal M

PROVIDER: S-EPMC4186177 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 4-allyl-sulfanyl-1H-pyrazolo-[3,4-d]pyrimidine.

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 20140823 Pt 9

In the title compound, C8H8N4S, the pyrazolo-[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3) Å. The allyl group is disordered over two sites in a 0.512 (6):0.488 (6) ratio. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers with an R 2 (2)(8) graph-set motif. ...[more]

PMID: 25309213

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