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1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenyl-isoquinoline.

作者信息

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

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 21;66(Pt 8):o2063-4. doi: 10.1107/S1600536810028059.

Abstract

In the title mol-ecule, C(22)H(21)N(3), 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 intra-molecular C-H⋯N contact may influence the mol-ecular conformation. The crystal structure is stabilized by C-H⋯π contacts involving the phenyl and pyrazole rings, and by π-π stacking inter-actions involving the pyridine and benzene rings [centroid-centroid distance = 3.5972 (10) Å].

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0c83/3007459/f6fe9ceb4ff3/e-66-o2063-fig1.jpg

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