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Crystal structure of 4-(2-azido-phen-yl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbo-nitrile.

ABSTRACT: In the title compound, C26H16N6O, 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 Np-H?O (p = pyrrole) hydrogen bonds generate R 2 (2)(10) loops. A second inversion dimer arises from a pair of Ni-H?Nc (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.

SUBMITTER: Vimala G

PROVIDER: S-EPMC4420135 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of 4-(2-azido-phen-yl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbo-nitrile.

Vimala G G Raja J Kamal JK Naaz Y Amina YA Preumal P T PT SubbiahPandi A A

Acta crystallographica. Section E, Crystallographic communications 20150422 Pt 5

In the title compound, C26H16N6O, 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 ...[more]

PMID: 25995935

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