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1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenylisoquinoline

By F. Nawaz Khan, P. Manivel, S. Mohana Roopan, Venkatesha R. Hathwar and Mehmet Akkurt

Abstract

In the title molecule, C22H21N3, the isoquinoline ring is almost planar [maximum deviation = 0.046 (1) Å] and makes dihedral angles of 52.01 (4) and 14.61 (4)° with the pyrazole and phenyl rings, respectively. The phenyl ring and the pyrazole ring are twisted by 44.20 (6)° with respect to each other. The terminal C atoms of both of the ethyl groups attached to the pyrazole ring are disordered over two sites with occupancy ratios of 0.164 (7):0.836 (7) and 0.447 (16):0.553 (16). A weak intramolecular C—H...N contact may influence the molecular conformation. The crystal structure is stabilized by C—H...π contacts involving the phenyl and pyrazole rings, and by π–π stacking interactions involving the pyridine and benzene rings [centroid–centroid distance = 3.5972 (10) Å]

Topics: Chemistry, QD1-999, Science, Q, DOAJ:Chemistry (General), DOAJ:Chemistry
Publisher: International Union of Crystallography
Year: 2010
DOI identifier: 10.1107/S1600536810028059
OAI identifier: oai:doaj.org/article:3a37348d013047e88939d0ea98f03b95
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