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The crystal structure of 1,5-dibenzyl-1H-pyrazolo-[3,4-d]pyrimidine-4(5H)-thione.

ABSTRACT: In the title compound, C19H16N4S, the pyrazolo-[3,4-d]pyrimidine ring is close to being planar, with the greatest deviation from the mean plane being 0.023?(2)?Å for the C atom bearing the thione S atom. The two phenyl rings are nearly perpendicular to the fused ring system [dihedral angles = 71.4?(2) and 78.1?(2)°], but are oriented in opposite directions; the dihedral angle between the phenyl rings is 32.22?(16)°. In the crystal, linear supra-molecular chains along [101] are sustained by C-H?S inter-actions.

SUBMITTER: El Fal M 

PROVIDER: S-EPMC4384557 | biostudies-other | 2015 Feb

REPOSITORIES: biostudies-other

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The crystal structure of 1,5-dibenzyl-1H-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, Crystallographic communications 20150110 Pt 2

In the title compound, C19H16N4S, the pyrazolo-[3,4-d]pyrimidine ring is close to being planar, with the greatest deviation from the mean plane being 0.023 (2) Å for the C atom bearing the thione S atom. The two phenyl rings are nearly perpendicular to the fused ring system [dihedral angles = 71.4 (2) and 78.1 (2)°], but are oriented in opposite directions; the dihedral angle between the phenyl rings is 32.22 (16)°. In the crystal, linear supra-molecular chains along [101] are sustained by C-H⋯S  ...[more]

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