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4-(But-3-enylamino)-3-nitro-benzoic acid.

Authors :
Narendra Babu SN
Abdul Rahim AS
Osman H
Jebas SR
Fun HK
Source :
Acta crystallographica. Section E, Structure reports online [Acta Crystallogr Sect E Struct Rep Online] 2009 Jun 13; Vol. 65 (Pt 7), pp. o1560-1. Date of Electronic Publication: 2009 Jun 13.
Publication Year :
2009

Abstract

The asymmetric unit of the title compound, C(11)H(12)N(2)O(4), contains 12 crystallographically independent mol-ecules, labelled A to L. The nitro and carboxyl groups are twisted slightly out of the plane of the attached benzene ring in all independent mol-ecules except mol-ecules G and D. The nitro group is coplanar with the benzene ring in mol-ecule G and the carboxyl group is coplanar with the benzene ring in mol-ecule D. The orientation of the butyl group with respect to the rest of the mol-ecule is different in some of the independent mol-ecules, with the C-C-C-C torsion angles varying from 104.2 (5) to 126.6 (7)°. In each independent mol-ecule, an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, the 12 independent mol-ecules exist as six pairs of O-H⋯O hydrogen-bonded R(2) (2)(8) dimers. In addition, C-H⋯O hydrogen bonds are observed.

Details

Language :
English
ISSN :
1600-5368
Volume :
65
Issue :
Pt 7
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Structure reports online
Publication Type :
Academic Journal
Accession number :
21582843
Full Text :
https://doi.org/10.1107/S1600536809021692