Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1782204124027158528 |
---|---|
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]. |
format | Text |
id | pubmed-3099952 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT panchamukhishridhari 2phenyl891011tetrahydro1benzothieno32e124triazolo15cpyrimidine AT fathimanikhath 2phenyl891011tetrahydro1benzothieno32e124triazolo15cpyrimidine AT khaziim 2phenyl891011tetrahydro1benzothieno32e124triazolo15cpyrimidine AT begumnoorshahina 2phenyl891011tetrahydro1benzothieno32e124triazolo15cpyrimidine |