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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...

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Autores principales: Ziaulla, Mohamed, Banu, Afshan, Begum, Noor Shahina, Panchamukhi, Shridhar I., Khazi, I. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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