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4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine
In the title compound, C(12)H(16)N(4)S, the fused benzothiophene and the pyrimidine rings are coplanar [dihedral angle = 1.61 (6)°]. Three C atoms of the cyclohexene ring (at positions 3, 6 and 7) are disordered over two sites with an occupancy ratio of 0.702 (8):0.298 (8). The cyclohexene ring in...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414924/ https://www.ncbi.nlm.nih.gov/pubmed/22904911 http://dx.doi.org/10.1107/S1600536812031893 |
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author | Kalashetti, Mallikarjun B. Fathima, Nikhath Khan, Ashraf Y. Begum, Noor Shahina Khazi, I. M. |
author_facet | Kalashetti, Mallikarjun B. Fathima, Nikhath Khan, Ashraf Y. Begum, Noor Shahina Khazi, I. M. |
author_sort | Kalashetti, Mallikarjun B. |
collection | PubMed |
description | In the title compound, C(12)H(16)N(4)S, the fused benzothiophene and the pyrimidine rings are coplanar [dihedral angle = 1.61 (6)°]. Three C atoms of the cyclohexene ring (at positions 3, 6 and 7) are disordered over two sites with an occupancy ratio of 0.702 (8):0.298 (8). The cyclohexene ring in both the major and minor components adopts a half-chair conformation. The crystal structure is stabilized by N—H⋯N and C—H⋯N interactions, resulting in the formation of inversion dimers with R (2) (2)(10) and R (2) (2)(12) graph-set motifs. |
format | Online Article Text |
id | pubmed-3414924 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34149242012-08-17 4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine Kalashetti, Mallikarjun B. Fathima, Nikhath Khan, Ashraf Y. Begum, Noor Shahina Khazi, I. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(16)N(4)S, the fused benzothiophene and the pyrimidine rings are coplanar [dihedral angle = 1.61 (6)°]. Three C atoms of the cyclohexene ring (at positions 3, 6 and 7) are disordered over two sites with an occupancy ratio of 0.702 (8):0.298 (8). The cyclohexene ring in both the major and minor components adopts a half-chair conformation. The crystal structure is stabilized by N—H⋯N and C—H⋯N interactions, resulting in the formation of inversion dimers with R (2) (2)(10) and R (2) (2)(12) graph-set motifs. International Union of Crystallography 2012-07-18 /pmc/articles/PMC3414924/ /pubmed/22904911 http://dx.doi.org/10.1107/S1600536812031893 Text en © Kalashetti et al. 2012 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 Kalashetti, Mallikarjun B. Fathima, Nikhath Khan, Ashraf Y. Begum, Noor Shahina Khazi, I. M. 4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine |
title | 4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine |
title_full | 4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine |
title_fullStr | 4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine |
title_full_unstemmed | 4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine |
title_short | 4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine |
title_sort | 4-imino-2,7-dimethyl-5,6,7,8-tetrahydro-4h-1-benzothieno[2,3-d]pyrimidin-3-amine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414924/ https://www.ncbi.nlm.nih.gov/pubmed/22904911 http://dx.doi.org/10.1107/S1600536812031893 |
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