[3-(5-Nitro-2-furyl)-1-phenyl-1H-pyrazol-4-yl](phenyl)methanone

被引:1
|
作者
Goh, Jia Hao [1 ]
Fun, Hoong-Kun [1 ]
Nithinchandra [2 ]
Kalluraya, B. [2 ]
Rai, N. Satheesh [2 ]
机构
[1] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, George Town 11800, Malaysia
[2] Mangalore Univ, Dept Studies Chem, Mangalore 574199, India
关键词
ACETYLENIC KETONES;
D O I
10.1107/S1600536810015199
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title pyrazole compound, C(20)H(13)N(3)O(4), an intramolecular C-H center dot center dot center dot O hydrogen bond generates a seven-membered ring, producing an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum deviations of 0.002 (1) and 0.007 (1) angstrom, respectively] are coplanar with each other, forming a dihedral angle of 3.06 (10)degrees. The pyrazole ring forms dihedral angles of 8.51 (9) and 56.81 (9)degrees with the two benzene rings. The nitro group is coplanar with the attached furan ring, as indicated by the dihedral angle of 2.5 (3)degrees. In the crystal packing, intermolecular C-H center dot center dot center dot O hydrogen bonds link adjacent molecules into two-molecule-wide chains along the a axis. The crystal packing is further stabilized by weak intermolecular C-H center dot center dot center dot pi and pi-pi interactions [centroid-centroid distance = 3.4441 (10) angstrom].
引用
收藏
页码:O1229 / U1366
页数:12
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