4-(sec-butylamino)-3-nitrobenzoic acid
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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2009
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| Subjects: | |
| Online Access: | http://irep.iium.edu.my/10402/1/lh2837.pdf |
| _version_ | 1796875796722221056 |
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| author | Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Abd Hamid, Shafida Yeap, Chin Sing Fun, Hoong-Kun |
| author_facet | Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Abd Hamid, Shafida Yeap, Chin Sing Fun, Hoong-Kun |
| author_sort | Narendra Babu, Shivanagere Nagojappa |
| collection | IIUM |
| description | 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. |
| first_indexed | 2024-03-05T22:43:39Z |
| format | Article |
| id | oai:generic.eprints.org:10402 |
| institution | International Islamic University Malaysia |
| language | English |
| last_indexed | 2024-03-05T22:43:39Z |
| publishDate | 2009 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | oai:generic.eprints.org:104022020-11-17T00:09:20Z http://irep.iium.edu.my/10402/ 4-(sec-butylamino)-3-nitrobenzoic acid Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Abd Hamid, Shafida Yeap, Chin Sing Fun, Hoong-Kun QD Chemistry 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. International Union of Crystallography 2009 Article PeerReviewed application/pdf en http://irep.iium.edu.my/10402/1/lh2837.pdf 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 http://journals.iucr.org/e/issues/2009/07/00/issconts.html 10.1107/S1600536809021655 |
| spellingShingle | QD Chemistry Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Abd Hamid, Shafida Yeap, Chin Sing Fun, Hoong-Kun 4-(sec-butylamino)-3-nitrobenzoic acid |
| title | 4-(sec-butylamino)-3-nitrobenzoic acid |
| title_full | 4-(sec-butylamino)-3-nitrobenzoic acid |
| title_fullStr | 4-(sec-butylamino)-3-nitrobenzoic acid |
| title_full_unstemmed | 4-(sec-butylamino)-3-nitrobenzoic acid |
| title_short | 4-(sec-butylamino)-3-nitrobenzoic acid |
| title_sort | 4 sec butylamino 3 nitrobenzoic acid |
| topic | QD Chemistry |
| url | http://irep.iium.edu.my/10402/1/lh2837.pdf |
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