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

被引:0
|
作者
Khan, F. Nawaz [2 ]
Manivel, P. [2 ]
Roopan, S. Mohana [2 ]
Hathwar, Venkatesha R. [3 ]
Akkurt, Mehmet [1 ]
机构
[1] Erciyes Univ, Dept Phys, Fac Arts & Sci, TR-38039 Kayseri, Turkey
[2] VIT Univ, Organ & Med Chem Res Lab, Div Organ Chem, Sch Adv Sci, Vellore 632014, Tamil Nadu, India
[3] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India
关键词
CRYSTAL-STRUCTURE;
D O I
10.1107/S1600536810028059
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title molecule, C22H21N3, the isoquinoline ring is almost planar [maximum deviation = 0.046 (1) A] and makes dihedral angles of 52.01 (4) and 14.61 (4)degrees with the pyrazole and phenyl rings, respectively. The phenyl ring and the pyrazole ring are twisted by 44.20 (6)degrees 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...pi contacts involving the phenyl and pyrazole rings, and by pi-pi stacking interactions involving the pyridine and benzene rings [centroid-centroid distance = 3.5972 (10) A].
引用
收藏
页码:O2063 / U1614
页数:14
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