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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...

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Autores principales: Kalashetti, Mallikarjun B., Fathima, Nikhath, Khan, Ashraf Y., Begum, Noor Shahina, Khazi, I. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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