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4-(sec-butylamino)-3-nitrobenzoic acid

Narendra Babu, Shivanagere Nagojappa and Abdul Rahim, Aisyah Saad and Abd Hamid, Shafida and Yeap, Chin Sing and Fun, Hoong-Kun (2009) 4-(sec-butylamino)-3-nitrobenzoic acid. Acta Crystallographica Section E Structure Reports Online, E65 (7). o1557-o1558. ISSN 1600-5368

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The asymmetric unit of title compound, C11H14N2O4, consists of two crystallographically independent molecules (A and B). In each, intramolecular N-H...O hydrogen bonds generate S(6) ring motifs. The mean plane of the nitro group forms dihedral angles of 4.5 (3) and 0.5 (3)° with the benzene ring in molecules A and B, respectively. In molecule A, there is disorder of the butylamino group which corresponds to an approximate 180° rotation about the N-C(H) bond, forming two sites with refined occupancies of 0.722 (6) and 0.278 (6). Molecule B is similarly disordered but in addition there is further rotational disorder about the C(H)-C(H2) bond giving a ratio of occupancies for three components of 0.42:0.35:0.23. In the crystal structure, intermolecular O-H...O hydrogen bonds link molecules into centrosymmetric dimers generating R22(8) ring motifs. The crystal structure is also stabilized by weak intermolecular C-H...O interactions.

Item Type: Article (Journal)
Additional Information: 5980/10402
Subjects: Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Kulliyyah of Science > Department of Biotechnology
Depositing User: Ms Rosyidah Taju Rahim
Date Deposited: 16 Dec 2011 09:47
Last Modified: 17 Nov 2020 08:09
URI: http://irep.iium.edu.my/id/eprint/10402

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