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3-Methyl-3,4-dihydro-9H-carbazol-1(2H)-one
In the title molecule, C(13)H(13)NO, the dihedral angle between the benzene ring and the fused pyrrole ring is 2.03 (5)°. The methyl group at the 3-position has an equatorial orientation. The cyclohexene ring adopts an envelope conformation. Three C atoms of the cyclohexene ring, with their attac...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977477/ https://www.ncbi.nlm.nih.gov/pubmed/21583627 http://dx.doi.org/10.1107/S1600536809028050 |
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author | Thomas Gunaseelan, A. Prabakaran, K. Rajendra Prasad, K. J. Thiruvalluvar, A. Butcher, R. J. |
author_facet | Thomas Gunaseelan, A. Prabakaran, K. Rajendra Prasad, K. J. Thiruvalluvar, A. Butcher, R. J. |
author_sort | Thomas Gunaseelan, A. |
collection | PubMed |
description | In the title molecule, C(13)H(13)NO, the dihedral angle between the benzene ring and the fused pyrrole ring is 2.03 (5)°. The methyl group at the 3-position has an equatorial orientation. The cyclohexene ring adopts an envelope conformation. Three C atoms of the cyclohexene ring, with their attached H atoms, and all atoms of the methyl group are disordered over two positions, the site-occupancy factors being 0.883 (2) and 0.117 (2). In the crystal structure, molecules are stabilized by intermolecular N—H⋯O hydrogen bonds. A C—H⋯π interaction, involving the benzene ring, is also found. |
format | Text |
id | pubmed-2977477 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29774772010-12-30 3-Methyl-3,4-dihydro-9H-carbazol-1(2H)-one Thomas Gunaseelan, A. Prabakaran, K. Rajendra Prasad, K. J. Thiruvalluvar, A. Butcher, R. J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(13)H(13)NO, the dihedral angle between the benzene ring and the fused pyrrole ring is 2.03 (5)°. The methyl group at the 3-position has an equatorial orientation. The cyclohexene ring adopts an envelope conformation. Three C atoms of the cyclohexene ring, with their attached H atoms, and all atoms of the methyl group are disordered over two positions, the site-occupancy factors being 0.883 (2) and 0.117 (2). In the crystal structure, molecules are stabilized by intermolecular N—H⋯O hydrogen bonds. A C—H⋯π interaction, involving the benzene ring, is also found. International Union of Crystallography 2009-07-22 /pmc/articles/PMC2977477/ /pubmed/21583627 http://dx.doi.org/10.1107/S1600536809028050 Text en © Thomas Gunaseelan et al. 2009 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 Thomas Gunaseelan, A. Prabakaran, K. Rajendra Prasad, K. J. Thiruvalluvar, A. Butcher, R. J. 3-Methyl-3,4-dihydro-9H-carbazol-1(2H)-one |
title | 3-Methyl-3,4-dihydro-9H-carbazol-1(2H)-one |
title_full | 3-Methyl-3,4-dihydro-9H-carbazol-1(2H)-one |
title_fullStr | 3-Methyl-3,4-dihydro-9H-carbazol-1(2H)-one |
title_full_unstemmed | 3-Methyl-3,4-dihydro-9H-carbazol-1(2H)-one |
title_short | 3-Methyl-3,4-dihydro-9H-carbazol-1(2H)-one |
title_sort | 3-methyl-3,4-dihydro-9h-carbazol-1(2h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977477/ https://www.ncbi.nlm.nih.gov/pubmed/21583627 http://dx.doi.org/10.1107/S1600536809028050 |
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