4-tert-Butylamino-3-nitrobenzoic acid
In the title compound, C11H14N2O4, all non-H atoms lie in a mirror plane except for one of the methyl groups which deviates from the mirror plane by 0.919 (3) Å and is twisted by a torsion angle of 62.9 (2)°. An intramolecular N-H...O hydrogen bond generates an S(6) ring motif. In the crystal packin...
| 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/10407/ http://irep.iium.edu.my/10407/1/tk2439.pdf |
| _version_ | 1848777216030146560 |
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| author | Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Abd Hamid, Shafida Jebas, Samuel Robinson Fun, Hoong-Kun |
| author_facet | Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Abd Hamid, Shafida Jebas, Samuel Robinson Fun, Hoong-Kun |
| author_sort | Narendra Babu, Shivanagere Nagojappa |
| building | IIUM Repository |
| collection | Online Access |
| description | In the title compound, C11H14N2O4, all non-H atoms lie in a mirror plane except for one of the methyl groups which deviates from the mirror plane by 0.919 (3) Å and is twisted by a torsion angle of 62.9 (2)°. An intramolecular N-H...O hydrogen bond generates an S(6) ring motif. In the crystal packing, the molecules are linked together by O-H...O hydrogen bonds, forming dimers with graph-set motif R22(8) which propagate along the a-axis direction. C-H...O contacts link adjacent dimers with a graph-set motif C22(7), forming chains along b, and further consolidate the structure into a three-dimensional network. The crystal packing is further strengthened by short intermolecular O...O=C [2.655 (4) Å] contacts. |
| first_indexed | 2025-11-14T14:42:27Z |
| format | Article |
| id | iium-10407 |
| institution | International Islamic University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T14:42:27Z |
| publishDate | 2009 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | iium-104072011-12-16T02:02:37Z http://irep.iium.edu.my/10407/ 4-tert-Butylamino-3-nitrobenzoic acid Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Abd Hamid, Shafida Jebas, Samuel Robinson Fun, Hoong-Kun QD Chemistry In the title compound, C11H14N2O4, all non-H atoms lie in a mirror plane except for one of the methyl groups which deviates from the mirror plane by 0.919 (3) Å and is twisted by a torsion angle of 62.9 (2)°. An intramolecular N-H...O hydrogen bond generates an S(6) ring motif. In the crystal packing, the molecules are linked together by O-H...O hydrogen bonds, forming dimers with graph-set motif R22(8) which propagate along the a-axis direction. C-H...O contacts link adjacent dimers with a graph-set motif C22(7), forming chains along b, and further consolidate the structure into a three-dimensional network. The crystal packing is further strengthened by short intermolecular O...O=C [2.655 (4) Å] contacts. International Union of Crystallography 2009 Article PeerReviewed application/pdf en http://irep.iium.edu.my/10407/1/tk2439.pdf Narendra Babu, Shivanagere Nagojappa and Abdul Rahim, Aisyah Saad and Abd Hamid, Shafida and Jebas, Samuel Robinson and Fun, Hoong-Kun (2009) 4-tert-Butylamino-3-nitrobenzoic acid. Acta Crystallographica Section E Structure Reports Online, E65 (6). o1233-o1234. ISSN 1600-5368 http://journals.iucr.org/e/ 10.1107/S1600536809015487 |
| spellingShingle | QD Chemistry Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Abd Hamid, Shafida Jebas, Samuel Robinson Fun, Hoong-Kun 4-tert-Butylamino-3-nitrobenzoic acid |
| title | 4-tert-Butylamino-3-nitrobenzoic acid |
| title_full | 4-tert-Butylamino-3-nitrobenzoic acid |
| title_fullStr | 4-tert-Butylamino-3-nitrobenzoic acid |
| title_full_unstemmed | 4-tert-Butylamino-3-nitrobenzoic acid |
| title_short | 4-tert-Butylamino-3-nitrobenzoic acid |
| title_sort | 4-tert-butylamino-3-nitrobenzoic acid |
| topic | QD Chemistry |
| url | http://irep.iium.edu.my/10407/ http://irep.iium.edu.my/10407/ http://irep.iium.edu.my/10407/ http://irep.iium.edu.my/10407/1/tk2439.pdf |