2-Amino-6-methyl-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carbonitrile

2-Amino-6-methyl-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carbonitrile

In the title compound, C10H12N2S, 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 conformat...

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Main Authors: Ziaulla, Mohamed, Banu, Afshan, Begum, Noor Shahina, Panchamukhi, Shridhar I., Khazi, I. M.
Format: Online
Language:English
Published: International Union of Crystallography 2011
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051984/
id pubmed-3051984
recordtype oai_dc
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. Organic Papers In the title compound, C10H12N2S, 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.
repository_type Open Access Journal
institution_category Foreign Institution
institution US National Center for Biotechnology Information
building NCBI PubMed
collection Online Access
language English
format Online
author Ziaulla, Mohamed
Banu, Afshan
Begum, Noor Shahina
Panchamukhi, Shridhar I.
Khazi, I. M.
spellingShingle 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
author_facet Ziaulla, Mohamed
Banu, Afshan
Begum, Noor Shahina
Panchamukhi, Shridhar I.
Khazi, I. M.
author_sort Ziaulla, Mohamed
title 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_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_sort 2-amino-6-methyl-4,5,6,7-tetra­hydro-1-benzothio­phene-3-carbonitrile
description In the title compound, C10H12N2S, 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.
publisher International Union of Crystallography
publishDate 2011
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051984/
_version_ 1611443873554366464

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