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7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine
In the title compound, C(11)H(13)N(3)S, two of the C atoms of the cyclohexene ring and the methyl group attached to it are disordered over two sets of sites in a 0.544 (2):0.456 (2) ratio. The benzothiene and pyrimidine rings are almost coplanar with an angular tilt of 2.371 (9)° between them. The...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151862/ https://www.ncbi.nlm.nih.gov/pubmed/21837042 http://dx.doi.org/10.1107/S1600536811021155 |
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author | Ziaulla, Mohamed Banu, Afshan Begum, Noor Shahina Panchamukhi, Shridhar I. Khazi, I. M. |
author_facet | Ziaulla, Mohamed Banu, Afshan Begum, Noor Shahina Panchamukhi, Shridhar I. Khazi, I. M. |
author_sort | Ziaulla, Mohamed |
collection | PubMed |
description | In the title compound, C(11)H(13)N(3)S, two of the C atoms of the cyclohexene ring and the methyl group attached to it are disordered over two sets of sites in a 0.544 (2):0.456 (2) ratio. The benzothiene and pyrimidine rings are almost coplanar with an angular tilt of 2.371 (9)° between them. The thiophene ring is essentially planar (r.m.s. deviation 0.05 Å), while the cyclohexene ring in both the major- and minor-occupancy conformers adopts a half-chair conformation. In the crystal structure, pairs of intermolecular N—H⋯N hydrogen bonds involving the amino groups result in centrosymmetric head-to-head dimers about inversion centres, corresponding to an R (2) (2)(8) graph-set motif. Further, N—H⋯N hydrogen bonding generates a two-dimensional hydrogen-bonded network perpendicular to the ac plane and running along the diagonal of the ac plane. |
format | Online Article Text |
id | pubmed-3151862 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31518622011-08-11 7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine Ziaulla, Mohamed Banu, Afshan Begum, Noor Shahina Panchamukhi, Shridhar I. Khazi, I. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(13)N(3)S, two of the C atoms of the cyclohexene ring and the methyl group attached to it are disordered over two sets of sites in a 0.544 (2):0.456 (2) ratio. The benzothiene and pyrimidine rings are almost coplanar with an angular tilt of 2.371 (9)° between them. The thiophene ring is essentially planar (r.m.s. deviation 0.05 Å), while the cyclohexene ring in both the major- and minor-occupancy conformers adopts a half-chair conformation. In the crystal structure, pairs of intermolecular N—H⋯N hydrogen bonds involving the amino groups result in centrosymmetric head-to-head dimers about inversion centres, corresponding to an R (2) (2)(8) graph-set motif. Further, N—H⋯N hydrogen bonding generates a two-dimensional hydrogen-bonded network perpendicular to the ac plane and running along the diagonal of the ac plane. International Union of Crystallography 2011-06-11 /pmc/articles/PMC3151862/ /pubmed/21837042 http://dx.doi.org/10.1107/S1600536811021155 Text en © Ziaulla 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 Ziaulla, Mohamed Banu, Afshan Begum, Noor Shahina Panchamukhi, Shridhar I. Khazi, I. M. 7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine |
title | 7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine |
title_full | 7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine |
title_fullStr | 7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine |
title_full_unstemmed | 7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine |
title_short | 7-Methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine |
title_sort | 7-methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4-amine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151862/ https://www.ncbi.nlm.nih.gov/pubmed/21837042 http://dx.doi.org/10.1107/S1600536811021155 |
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