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Crystal structure of -(2-benzoyl-5-ethynylphen-yl)quinoline-2-carboxamide. | LitMetric

Crystal structure of -(2-benzoyl-5-ethynylphen-yl)quinoline-2-carboxamide.

Acta Crystallogr E Crystallogr Commun

Grupo de Investigación en Macromoléculas, Departamento de Química, Universidad Nacional de Colombia-Sede Bogotá, A.A. 5997 Bogotá, Colombia.

Published: April 2017

In the title compound, CHNO, the quinoline ring system is essentially planar, with a maximum deviation of 0.030 (1) Å, and forms a dihedral angle of 20.9 (1)° with benzoyl benzene ring. The unsubstituted phenyl ring forms dihedral angles of 52.7 (1)° with the quinoline ring system and 54.1 (1)° with the ethynyl-substituted benzene ring. The mol-ecule contains an intra-molecular bifurcated N-H⋯(O,N) hydrogen bond, forming (5) and (6) rings, which may influence the conformation of the mol-ecule. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. In addition, the three-dimensional structure contains π-π stacking inter-actions, with centroid-centroid distances of 3.695 (1) and 3.751 (1) Å.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5382631PMC
http://dx.doi.org/10.1107/S2056989017004601DOI Listing

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