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

In the title mol­ecule, 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 eac...

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Detalles Bibliográficos
Autores principales: Khan, F. Nawaz, Manivel, P., Roopan, S. Mohana, Hathwar, Venkatesha R., Akkurt, Mehmet
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007459/
https://www.ncbi.nlm.nih.gov/pubmed/21588367
http://dx.doi.org/10.1107/S1600536810028059
Descripción
Sumario:In the title mol­ecule, 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 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].