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2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
In the title compound, C(10)H(12)N(2)S, one of the C atoms of the cyclohexene ring (at position 6) and the methyl group attached to it are disordered over two sets of sites in a 0.650 (3):0.350 (3) ratio. The cyclohexene ring in both the major and minor occupancy conformers adopts a half-chair con...
Autores principales: | , , , , |
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Formato: | 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/PMC3051984/ https://www.ncbi.nlm.nih.gov/pubmed/21522444 http://dx.doi.org/10.1107/S1600536811006076 |
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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(10)H(12)N(2)S, one of the C atoms of the cyclohexene ring (at position 6) and the methyl group attached to it are disordered over two sets of sites in a 0.650 (3):0.350 (3) ratio. The cyclohexene ring in both the major and minor occupancy conformers adopts a half-chair conformation. The thiophene ring is essentially planar (r.m.s. deviation = 0.05 Å). In the crystal, N—H⋯N hydrogen bonds involving the amino groups result in inversion dimers with R (2) (2)(12) graph-set motif. Further N—H⋯N hydrogen bonds involving the amino and carbonitrile groups generate zigzag chains along the a axis. |
format | Text |
id | pubmed-3051984 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30519842011-04-26 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 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(10)H(12)N(2)S, one of the C atoms of the cyclohexene ring (at position 6) and the methyl group attached to it are disordered over two sets of sites in a 0.650 (3):0.350 (3) ratio. The cyclohexene ring in both the major and minor occupancy conformers adopts a half-chair conformation. The thiophene ring is essentially planar (r.m.s. deviation = 0.05 Å). In the crystal, N—H⋯N hydrogen bonds involving the amino groups result in inversion dimers with R (2) (2)(12) graph-set motif. Further N—H⋯N hydrogen bonds involving the amino and carbonitrile groups generate zigzag chains along the a axis. International Union of Crystallography 2011-02-23 /pmc/articles/PMC3051984/ /pubmed/21522444 http://dx.doi.org/10.1107/S1600536811006076 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. 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
title | 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
title_full | 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
title_fullStr | 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
title_full_unstemmed | 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
title_short | 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
title_sort | 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051984/ https://www.ncbi.nlm.nih.gov/pubmed/21522444 http://dx.doi.org/10.1107/S1600536811006076 |
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