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

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...

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Detalles Bibliográficos
Autores principales: Narendra Babu, Shivanagere Nagojappa, Abdul Rahim, Aisyah Saad, Osman, Hasnah, Jebas, Samuel Robinson, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969436/
https://www.ncbi.nlm.nih.gov/pubmed/21582843
http://dx.doi.org/10.1107/S1600536809021692
Descripción
Sumario: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)°. 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.