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3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline
In the title compound, C(31)H(29)BrN(2)O(2)S, the pyrrolidine ring is in a twist conformation and the tetrahydropyridine ring adopts an envelope conformation with the methine C atom adjacent to the NH group as the flap atom; the two rings are trans-fused. The bromobenzene ring and the nearest phe...
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/PMC2971917/ https://www.ncbi.nlm.nih.gov/pubmed/21578741 http://dx.doi.org/10.1107/S1600536809045875 |
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author | Chinnakali, K. Sudha, D. Jayagobi, M. Raghunathan, R. Fun, Hoong-Kun |
author_facet | Chinnakali, K. Sudha, D. Jayagobi, M. Raghunathan, R. Fun, Hoong-Kun |
author_sort | Chinnakali, K. |
collection | PubMed |
description | In the title compound, C(31)H(29)BrN(2)O(2)S, the pyrrolidine ring is in a twist conformation and the tetrahydropyridine ring adopts an envelope conformation with the methine C atom adjacent to the NH group as the flap atom; the two rings are trans-fused. The bromobenzene ring and the nearest phenyl ring form a dihedral angle of 82.72 (10)°. The benzyl phenyl and the tosyl phenyl rings are oriented at a dihedral angle of 75.57 (11)°. An intramolecular N—H⋯π interaction is observed. In the crystal, molecules are linked into chains running along [101] by C—H⋯O hydrogen bonds and the chains are cross-linked via weak C—H⋯π interactions. |
format | Text |
id | pubmed-2971917 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29719172010-12-30 3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline Chinnakali, K. Sudha, D. Jayagobi, M. Raghunathan, R. Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(31)H(29)BrN(2)O(2)S, the pyrrolidine ring is in a twist conformation and the tetrahydropyridine ring adopts an envelope conformation with the methine C atom adjacent to the NH group as the flap atom; the two rings are trans-fused. The bromobenzene ring and the nearest phenyl ring form a dihedral angle of 82.72 (10)°. The benzyl phenyl and the tosyl phenyl rings are oriented at a dihedral angle of 75.57 (11)°. An intramolecular N—H⋯π interaction is observed. In the crystal, molecules are linked into chains running along [101] by C—H⋯O hydrogen bonds and the chains are cross-linked via weak C—H⋯π interactions. International Union of Crystallography 2009-11-07 /pmc/articles/PMC2971917/ /pubmed/21578741 http://dx.doi.org/10.1107/S1600536809045875 Text en © Chinnakali 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 Chinnakali, K. Sudha, D. Jayagobi, M. Raghunathan, R. Fun, Hoong-Kun 3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline |
title | 3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline |
title_full | 3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline |
title_fullStr | 3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline |
title_full_unstemmed | 3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline |
title_short | 3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline |
title_sort | 3-benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1h-pyrrolo[3,4-b]quinoline |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971917/ https://www.ncbi.nlm.nih.gov/pubmed/21578741 http://dx.doi.org/10.1107/S1600536809045875 |
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