1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenylisoquinoline
نویسندگان
چکیده
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].
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The mol-ecular conformation of the title compound, C(20)H(17)N(3), is stabilized by an intramolecular C-H⋯N inter-action. The crystal structure shows inter-molecular C-H⋯π inter-actions. The dihedral angle between the isoquinoline unit and the phenyl ring is 11.42 (1)° whereas the isoquinoline unit and the pendent dimethyl pryrazole unit form a dihedral angle of 50.1 (4)°. Furthermore, the angl...
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