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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...

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Autores principales: Thomas Gunaseelan, A., Prabakaran, K., Rajendra Prasad, K. J., Thiruvalluvar, A., Butcher, R. J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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