Crystal structure of 1,5-diethyl-3′,5′-di­phenyl-1,5-di­hydro-3′H-spiro­[pyra­zolo[3,4-d]pyrimidine-4,2′-[1,3,4]thia­diazole]

In the title compound, C(22)H(22)N(6)S, 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 thia­diazole ring are nearly perpendicular to the fused-ring system as indicated by the dihedral ang...

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Autores principales: El Fal, Mohammed, Ramli, Youssef, Essassi, El Mokhtar, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647392/
https://www.ncbi.nlm.nih.gov/pubmed/26594469
http://dx.doi.org/10.1107/S2056989015017405
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author El Fal, Mohammed
Ramli, Youssef
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
author_facet El Fal, Mohammed
Ramli, Youssef
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
author_sort El Fal, Mohammed
collection PubMed
description In the title compound, C(22)H(22)N(6)S, 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 thia­diazole 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 thia­diazole ring (r.m.s. deviation = 0.015 Å), forming dihedral angles of 10.44 (11) and 10.06 (12)°. In the crystal, mol­ecules are connected into a supra­molecular layer in the ac plane via C—H⋯π inter­actions.
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spelling pubmed-46473922015-11-20 Crystal structure of 1,5-diethyl-3′,5′-di­phenyl-1,5-di­hydro-3′H-spiro­[pyra­zolo[3,4-d]pyrimidine-4,2′-[1,3,4]thia­diazole] El Fal, Mohammed Ramli, Youssef Essassi, El Mokhtar Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(22)H(22)N(6)S, 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 thia­diazole 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 thia­diazole ring (r.m.s. deviation = 0.015 Å), forming dihedral angles of 10.44 (11) and 10.06 (12)°. In the crystal, mol­ecules are connected into a supra­molecular layer in the ac plane via C—H⋯π inter­actions. International Union of Crystallography 2015-09-26 /pmc/articles/PMC4647392/ /pubmed/26594469 http://dx.doi.org/10.1107/S2056989015017405 Text en © El Fal et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
El Fal, Mohammed
Ramli, Youssef
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
Crystal structure of 1,5-diethyl-3′,5′-di­phenyl-1,5-di­hydro-3′H-spiro­[pyra­zolo[3,4-d]pyrimidine-4,2′-[1,3,4]thia­diazole]
title Crystal structure of 1,5-diethyl-3′,5′-di­phenyl-1,5-di­hydro-3′H-spiro­[pyra­zolo[3,4-d]pyrimidine-4,2′-[1,3,4]thia­diazole]
title_full Crystal structure of 1,5-diethyl-3′,5′-di­phenyl-1,5-di­hydro-3′H-spiro­[pyra­zolo[3,4-d]pyrimidine-4,2′-[1,3,4]thia­diazole]
title_fullStr Crystal structure of 1,5-diethyl-3′,5′-di­phenyl-1,5-di­hydro-3′H-spiro­[pyra­zolo[3,4-d]pyrimidine-4,2′-[1,3,4]thia­diazole]
title_full_unstemmed Crystal structure of 1,5-diethyl-3′,5′-di­phenyl-1,5-di­hydro-3′H-spiro­[pyra­zolo[3,4-d]pyrimidine-4,2′-[1,3,4]thia­diazole]
title_short Crystal structure of 1,5-diethyl-3′,5′-di­phenyl-1,5-di­hydro-3′H-spiro­[pyra­zolo[3,4-d]pyrimidine-4,2′-[1,3,4]thia­diazole]
title_sort crystal structure of 1,5-diethyl-3′,5′-di­phenyl-1,5-di­hydro-3′h-spiro­[pyra­zolo[3,4-d]pyrimidine-4,2′-[1,3,4]thia­diazole]
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647392/
https://www.ncbi.nlm.nih.gov/pubmed/26594469
http://dx.doi.org/10.1107/S2056989015017405
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