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

ABSTRACT: 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?? 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 angle between the mean plane of the phenyl ring and the dimethyl pyrazole unit is 47.3?(6)°.

SUBMITTER: Manivel P

PROVIDER: S-EPMC2977163 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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

Manivel P P R Hathwar Venkatesha V Maiyalagan T T Krishnakumar V V Khan F Nawaz FN

Acta crystallographica. Section E, Structure reports online 20090708 Pt 8

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 angle between the mean plane of the phenyl ring and the dimethyl pyrazole unit is 47.3 (6)°. ...[more]

PMID: 21583504

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

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