4-(But-3-enylamino)-3-nitrobenzoic acid

被引:2
|
作者
Narendra Babu, Shivanagere Nagojappa [3 ]
Abdul Rahim, Aisyah Saad [3 ]
Osman, Hasnah [2 ]
Jebas, Samuel Robinson [1 ,4 ]
Fun, Hoong-Kun [1 ]
机构
[1] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, George Town 11800, Malaysia
[2] Univ Sains Malaysia, Sch Chem Sci, George Town 11800, Malaysia
[3] Univ Sains Malaysia, Sch Pharmaceut Sci, George Town 11800, Malaysia
[4] Karunya Univ, Dept Phys, Coimbatore 641114, Tamil Nadu, India
关键词
X-RAY; DIFFRACTION;
D O I
10.1107/S1600536809021692
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 compound, C(11)H(12)N(2)O(4), contains 12 crystallographically independent molecules, labelled A to L. The nitro and carboxyl groups are twisted slightly out of the plane of the attached benzene ring in all independent molecules except molecules G and D. The nitro group is coplanar with the benzene ring in molecule G and the carboxyl group is coplanar with the benzene ring in molecule D. The orientation of the butyl group with respect to the rest of the molecule is different in some of the independent molecules, with the C-C-C-C torsion angles varying from 104.2 (5) to 126.6 (7)degrees. In each independent molecule, an intramolecular N-H center dot center dot center dot O hydrogen bond generates an S(6) ring motif. In the crystal structure, the 12 independent molecules exist as six pairs of O-H center dot center dot center dot O hydrogen-bonded R(2)(2)(8) dimers. In addition, C-H center dot center dot center dot O hydrogen bonds are observed.
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页码:01560 / U2362
页数:34
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