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Crystal structure of 5-(5-chloro-2-hydroxy-benzo-yl)-2-(2-methyl-1H-indol-3-yl)nicotino-nitrile.

ABSTRACT: In the title compound, C22H14ClN3O2, the indole unit is essentially coplanar, with a maximum deviation of 0.035?Å for the C atom bearing the methyl group. The central pyridine ring is inclined to the indole ring system by 43.7?(1)°. The dihedral angle between the phenyl ring and the indole ring system is 15.7?(2)°, while that between the phenyl ring and the central pyridine ring is 46.3?(1)°. The mol-ecular structure is stabilized by an intra-molecular O-H?O hydrogen bonding, forming an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of N-H?N hydrogen bonds, forming inversion dimers with an R 2 (2)(16) ring motif. The crystal structure also features C-H?? and ?-? inter-actions [centroid-centroid separation = 3.688?(1)?Å].

SUBMITTER: Vimala G 

PROVIDER: S-EPMC4645016 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 5-(5-chloro-2-hydroxy-benzo-yl)-2-(2-methyl-1H-indol-3-yl)nicotino-nitrile.

Vimala G G   Poomathi N N   AaminaNaaz Y Y   Perumal P T PT   SubbiahPandi A A  

Acta crystallographica. Section E, Crystallographic communications 20151007 Pt 11

In the title compound, C22H14ClN3O2, the indole unit is essentially coplanar, with a maximum deviation of 0.035 Å for the C atom bearing the methyl group. The central pyridine ring is inclined to the indole ring system by 43.7 (1)°. The dihedral angle between the phenyl ring and the indole ring system is 15.7 (2)°, while that between the phenyl ring and the central pyridine ring is 46.3 (1)°. The mol-ecular structure is stabilized by an intra-molecular O-H⋯O hydrogen bonding, forming an S(6) rin  ...[more]

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