2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium 3-amino-5-nitrobenzoate sesquihydrate

被引:2
|
作者
de Souza, Marcus V. N. [3 ]
Wardell, James L. [4 ]
Wardell, Solange M. S. V. [5 ]
Ng, Seik Weng [1 ,2 ]
Tiekink, Edward R. T. [1 ]
机构
[1] Univ Malaya, Dept Chem, Kuala Lumpur 50603, Malaysia
[2] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah 80203, Saudi Arabia
[3] Fundacao Oswaldo Cruz, Inst Tecnol Farmacos Farmanguinhos, BR-21041250 Rio De Janeiro, Brazil
[4] Fundacao Oswaldo Cruz FIOCRUZ, CDTS, BR-21040900 Rio De Janeiro, Brazil
[5] CHEMSOL, Aberdeen AB15 5NY, Scotland
关键词
MEFLOQUINE;
D O I
10.1107/S160053681104270X
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The asymmetric unit of the title salt solvate, C17H17F6N2O+center dot C7H5N2O4-center dot 1.5H(2)O, comprises a piperidin-1-ium cation, a 3-amino-5-nitrobenzoate anion, and three fractionally occupied [i.e. 0.414 (3), 0.627 (6) and 0.459 (5)] disordered water molecules of solvation. The cation has an L shape with a C-C-C-C torsion angle of -102.9 (3)degrees for the atoms linking the quinolinyl group to the rest of the cation. In the anion, the carboxylate and nitro groups are essentially coplanar with the benzene ring [O-C-C-C torsion angle = 179.7 (2)degrees and O-N-C-C torsion angle = -3.9 (3)degrees]. In the crystal, extensive O-H center dot center dot center dot O, O-H center dot center dot center dot F and N-H center dot center dot center dot O hydrogen bonding leads to the formation of a layer in the ab plane.
引用
收藏
页码:O3019 / U1263
页数:14
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