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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...

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Autores principales: Vimala, G., Raja, J. Kamal, Naaz, Y. Amina, Preumal, P. T., SubbiahPandi, A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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