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Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile
In the title compound, C(26)H(16)N(6)O, the dihedral angles between the central pyrrole ring and the pendant indole ring system (r.m.s. deviation = 0.027 Å) and the azide-bearing benzene ring are 37.56 (8) and 51.62 (11)°, respectively. The azide group is almost coplanar with its attached benzene ri...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420135/ https://www.ncbi.nlm.nih.gov/pubmed/25995935 http://dx.doi.org/10.1107/S2056989015006921 |
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author | Vimala, G. Raja, J. Kamal Naaz, Y. Amina Preumal, P. T. SubbiahPandi, A. |
author_facet | Vimala, G. Raja, J. Kamal Naaz, Y. Amina Preumal, P. T. SubbiahPandi, A. |
author_sort | Vimala, G. |
collection | PubMed |
description | In the title compound, C(26)H(16)N(6)O, the dihedral angles between the central pyrrole ring and the pendant indole ring system (r.m.s. deviation = 0.027 Å) and the azide-bearing benzene ring are 37.56 (8) and 51.62 (11)°, respectively. The azide group is almost coplanar with its attached benzene ring [C—C—N—N = 3.8 (3)°]. The benzoyl benzene ring is disordered over two orientations twisted with respect to each other by 9.29 (8)° in a 0.514 (2):0.486 (2) ratio. In the crystal, inversion dimers linked by pairs of N(p)—H⋯O (p = pyrrole) hydrogen bonds generate R (2) (2)(10) loops. A second inversion dimer arises from a pair of N(i)—H⋯N(c) (i = indole and c = cyanide) hydrogen bonds, which generates an R (2) (2)(16) loop. Together, the hydrogen bonds lead to [011] chains in the crystal. |
format | Online Article Text |
id | pubmed-4420135 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44201352015-05-20 Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile Vimala, G. Raja, J. Kamal Naaz, Y. Amina Preumal, P. T. SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(26)H(16)N(6)O, the dihedral angles between the central pyrrole ring and the pendant indole ring system (r.m.s. deviation = 0.027 Å) and the azide-bearing benzene ring are 37.56 (8) and 51.62 (11)°, respectively. The azide group is almost coplanar with its attached benzene ring [C—C—N—N = 3.8 (3)°]. The benzoyl benzene ring is disordered over two orientations twisted with respect to each other by 9.29 (8)° in a 0.514 (2):0.486 (2) ratio. In the crystal, inversion dimers linked by pairs of N(p)—H⋯O (p = pyrrole) hydrogen bonds generate R (2) (2)(10) loops. A second inversion dimer arises from a pair of N(i)—H⋯N(c) (i = indole and c = cyanide) hydrogen bonds, which generates an R (2) (2)(16) loop. Together, the hydrogen bonds lead to [011] chains in the crystal. International Union of Crystallography 2015-04-22 /pmc/articles/PMC4420135/ /pubmed/25995935 http://dx.doi.org/10.1107/S2056989015006921 Text en © Vimala et al. 2015 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 | Data Reports Vimala, G. Raja, J. Kamal Naaz, Y. Amina Preumal, P. T. SubbiahPandi, A. Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile |
title | Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile |
title_full | Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile |
title_fullStr | Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile |
title_full_unstemmed | Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile |
title_short | Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile |
title_sort | crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1h-indol-3-yl)-1h-pyrrole-3-carbonitrile |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420135/ https://www.ncbi.nlm.nih.gov/pubmed/25995935 http://dx.doi.org/10.1107/S2056989015006921 |
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