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...

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Main Authors: Narendra Babu, Shivanagere Nagojappa, Abdul Rahim, Aisyah Saad, Abd Hamid, Shafida, Jebas, Samuel Robinson, Fun, Hoong-Kun
Format: Article
Language:English
Published: International Union of Crystallography 2009
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Online Access:http://irep.iium.edu.my/10407/1/tk2439.pdf
http://irep.iium.edu.my/10407/
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spelling my.iium.irep.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 REM 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
institution Universiti Islam Antarabangsa Malaysia
building IIUM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider International Islamic University Malaysia
content_source IIUM Repository (IREP)
url_provider http://irep.iium.edu.my/
language English
topic QD Chemistry
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
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.
format Article
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
title 4-tert-Butylamino-3-nitrobenzoic acid
title_short 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_sort 4-tert-butylamino-3-nitrobenzoic acid
publisher International Union of Crystallography
publishDate 2009
url http://irep.iium.edu.my/10407/1/tk2439.pdf
http://irep.iium.edu.my/10407/
http://journals.iucr.org/e/
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score 13.159267