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2-Phenyl-8,9,10,11-tetra­hydro-1-benzo­thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

In the title compound, C(17)H(14)N(4)S, the benzothieno moiety is fused at one end of the pyramidine ring while the triazole ring with a phenyl substituent is fused at the other side. The triazole ring is almost planar [maximum deviation = 0.0028 (3) Å] while the cyclo­hexane ring adopts a half-chai...

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Autores principales: Panchamukhi, Shridhar I., Fathima, Nikhath, Khazi, I. M., Begum, Noor Shahina
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099952/
https://www.ncbi.nlm.nih.gov/pubmed/21754069
http://dx.doi.org/10.1107/S1600536811007331
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author Panchamukhi, Shridhar I.
Fathima, Nikhath
Khazi, I. M.
Begum, Noor Shahina
author_facet Panchamukhi, Shridhar I.
Fathima, Nikhath
Khazi, I. M.
Begum, Noor Shahina
author_sort Panchamukhi, Shridhar I.
collection PubMed
description In the title compound, C(17)H(14)N(4)S, the benzothieno moiety is fused at one end of the pyramidine ring while the triazole ring with a phenyl substituent is fused at the other side. The triazole ring is almost planar [maximum deviation = 0.0028 (3) Å] while the cyclo­hexane ring adopts a half-chair conformation. In the crystal, pairs of inter­molecular C—H⋯N hydrogen bonds form centrosymmetric head-to-head dimers, corresponding to an R (2) (2)(8) graph-set motif. Further C—H⋯N inter­actions generate a zigzag chain of mol­ecules along the c axis. The supra­molecular assembly is consolidated by π–π stacking inter­actions [centroid–centroid distance = 3.445 (4) Å].
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spelling pubmed-30999522011-07-13 2-Phenyl-8,9,10,11-tetra­hydro-1-benzo­thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine Panchamukhi, Shridhar I. Fathima, Nikhath Khazi, I. M. Begum, Noor Shahina Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(14)N(4)S, the benzothieno moiety is fused at one end of the pyramidine ring while the triazole ring with a phenyl substituent is fused at the other side. The triazole ring is almost planar [maximum deviation = 0.0028 (3) Å] while the cyclo­hexane ring adopts a half-chair conformation. In the crystal, pairs of inter­molecular C—H⋯N hydrogen bonds form centrosymmetric head-to-head dimers, corresponding to an R (2) (2)(8) graph-set motif. Further C—H⋯N inter­actions generate a zigzag chain of mol­ecules along the c axis. The supra­molecular assembly is consolidated by π–π stacking inter­actions [centroid–centroid distance = 3.445 (4) Å]. International Union of Crystallography 2011-03-05 /pmc/articles/PMC3099952/ /pubmed/21754069 http://dx.doi.org/10.1107/S1600536811007331 Text en © Panchamukhi et al. 2011 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 Organic Papers
Panchamukhi, Shridhar I.
Fathima, Nikhath
Khazi, I. M.
Begum, Noor Shahina
2-Phenyl-8,9,10,11-tetra­hydro-1-benzo­thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
title 2-Phenyl-8,9,10,11-tetra­hydro-1-benzo­thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
title_full 2-Phenyl-8,9,10,11-tetra­hydro-1-benzo­thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
title_fullStr 2-Phenyl-8,9,10,11-tetra­hydro-1-benzo­thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
title_full_unstemmed 2-Phenyl-8,9,10,11-tetra­hydro-1-benzo­thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
title_short 2-Phenyl-8,9,10,11-tetra­hydro-1-benzo­thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
title_sort 2-phenyl-8,9,10,11-tetra­hydro-1-benzo­thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099952/
https://www.ncbi.nlm.nih.gov/pubmed/21754069
http://dx.doi.org/10.1107/S1600536811007331
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