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Crystal structure of 1,5-diethyl-3',5'-di-phenyl-1,5-di-hydro-3'H-spiro-[pyra-zolo[3,4-d]pyrimidine-4,2'-[1,3,4]thia-diazole].

ABSTRACT: In the title compound, C22H22N6S, the pyrazolo-[3,4-d]pyrimidine rings system is almost planar, with the r.m.s. deviation for the fitted atoms being 0.011?Å. The two phenyl groups linked to the thia-diazole ring are nearly perpendicular to the fused-ring system as indicated by the dihedral angles of 86.93?(10) and 83.35?(11)°. However, the phenyl rings are almost coplanar with the thia-diazole ring (r.m.s. deviation = 0.015?Å), forming dihedral angles of 10.44?(11) and 10.06?(12)°. In the crystal, mol-ecules are connected into a supra-molecular layer in the ac plane via C-H?? inter-actions.

SUBMITTER: El Fal M

PROVIDER: S-EPMC4647392 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 1,5-diethyl-3',5'-di-phenyl-1,5-di-hydro-3'H-spiro-[pyra-zolo[3,4-d]pyrimidine-4,2'-[1,3,4]thia-diazole].

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 20150926 Pt 10

In the title compound, C22H22N6S, the pyrazolo-[3,4-d]pyrimidine rings system is almost planar, with the r.m.s. deviation for the fitted atoms being 0.011 Å. The two phenyl groups linked to the thia-diazole ring are nearly perpendicular to the fused-ring system as indicated by the dihedral angles of 86.93 (10) and 83.35 (11)°. However, the phenyl rings are almost coplanar with the thia-diazole ring (r.m.s. deviation = 0.015 Å), forming dihedral angles of 10.44 (11) and 10.06 (12)°. In the crysta ...[more]

PMID: 26594469

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