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...

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Main Authors:	Narendra Babu, Shivanagere Nagojappa, Abdul Rahim, Aisyah Saad, Abd Hamid, Shafida, Yeap, Chin Sing, Fun, Hoong-Kun
Format:	Article
Language:	English
Published:	International Union of Crystallography 2009
Subjects:	QD Chemistry
Online Access:	http://irep.iium.edu.my/10402/ http://irep.iium.edu.my/10402/ http://irep.iium.edu.my/10402/ http://irep.iium.edu.my/10402/1/lh2837.pdf

id	iium-10402
recordtype	eprints
spelling	iium-104022011-12-16T01:47:09Z 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
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English
topic	QD Chemistry
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
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.
format	Article
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
title	4-(sec-butylamino)-3-nitrobenzoic acid
title_short	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_sort	4-(sec-butylamino)-3-nitrobenzoic acid
publisher	International Union of Crystallography
publishDate	2009
url	http://irep.iium.edu.my/10402/ http://irep.iium.edu.my/10402/ http://irep.iium.edu.my/10402/ http://irep.iium.edu.my/10402/1/lh2837.pdf
first_indexed	2023-09-18T20:19:51Z
last_indexed	2023-09-18T20:19:51Z
_version_	1777408033396097024

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

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