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Crystal structure of 4-(1H-indol-3-yl)-2-(4-meth-oxy-phen-yl)-6-phenyl-pyridine-3-carbo-nitrile.

ABSTRACT: In the title compound, C27H19N3O, the dihedral angles between the plane of the pyridine ring and those of the indole (r.m.s. deviation = 0.018?Å), phenyl and meth-oxy-benzene substituents are 33.60?(6), 25.28?(7) and 49.31?(7)°, respectively. The N atom of the carbo-nitrile group is significantly displaced [0.288?(2)?Å] from the plane of the pyridine ring, perhaps due to steric crowding. In the crystal, inversion dimers linked by pairs of N-H?Nn (n = nitrile) hydrogen bonds generate R 2 (2)(16) loops. Aromatic ?-? stacking [centroid-centroid separation = 3.6906?(7)?Å] and very weak C-H?? inter-actions are also observed".

SUBMITTER: Vishnupriya R

PROVIDER: S-EPMC4257225 | biostudies-other | 2014 Oct

REPOSITORIES: biostudies-other

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Crystal structure of 4-(1H-indol-3-yl)-2-(4-meth-oxy-phen-yl)-6-phenyl-pyridine-3-carbo-nitrile.

Vishnupriya R R Suresh J J Sakthi Marimuthu M Perumal Subbu S Lakshman P L Nilantha PL

Acta crystallographica. Section E, Structure reports online 20140924 Pt 10

In the title compound, C27H19N3O, the dihedral angles between the plane of the pyridine ring and those of the indole (r.m.s. deviation = 0.018 Å), phenyl and meth-oxy-benzene substituents are 33.60 (6), 25.28 (7) and 49.31 (7)°, respectively. The N atom of the carbo-nitrile group is significantly displaced [0.288 (2) Å] from the plane of the pyridine ring, perhaps due to steric crowding. In the crystal, inversion dimers linked by pairs of N-H⋯Nn (n = nitrile) hydrogen bonds generate R 2 (2)(16) ...[more]

PMID: 25484706

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