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

Shivanagere Nagojappa Narendra Babu,Hasnah Osman,Samuel Robinson Jebas,Aisyah Saad Abdul Rahim,Hoong-Kun Fun

doi:10.1107/s1600536809021692

Shivanagere Nagojappa Narendra Babu, Hasnah Osman + Show 3 more

Open Access

https://doi.org/10.1107/s1600536809021692

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Abstract

The asymmetric unit of the title compound, C11H12N2O4, 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)°. In each independent molecule, an intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, the 12 independent molecules exist as six pairs of O—H⋯O hydrogen-bonded R 2 2(8) dimers. In addition, C—H⋯O hydrogen bonds are observed.

Highlights

The asymmetric unit of the title compound, C11H12N2O4, contains 12 crystallographically independent molecules, labelled A to L
The nitro group is coplanar with the benzene ring in molecule G and the carboxyl group is coplanar with the benzene ring in molecule
The 12 independent molecules exist as six pairs of O—H O hydrogen-bonded

Summary

Structure Reports

The asymmetric unit of the title compound, C11H12N2O4, 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. An intramolecular N—H O hydrogen bond generates an S(6). The 12 independent molecules exist as six pairs of O—H O hydrogen-bonded.

Data collection

Crystal data

Special details