Di-n-butylammonium 2- (3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl benzoate

Alhadi, A.A. and Olmstead, M.M. and Ali, Hapipah Mohd and Khaledi, H. (2010) Di-n-butylammonium 2- (3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl benzoate. Acta Crystallographica Section E: Structure Reports Online, 66. O2454-U1533. ISSN 1600-5368, DOI https://doi.org/10.1107/s1600536810033921.

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The title salt, C(8)H(20)N(+)center dot C(22)H(27)O(3)S(-), is a proton-transfer compound derived from the recently reported parent carboxylic acid [Alhadi et al. (2010). Acta Cryst. E66, o1787] by the addition of a second equivalent of di-n-butylamine, yielding the di-n-butylammonium carboxylate salt. The structure of the carboxylate anion resembles that of the parent carboxylic acid. The main difference lies in the position of the H atom in the 4-hydroxy group. In the anion the O-H bond is perpendicular, rather than parallel, to the benzyl ring. This position appears to facilitate hydrogen bonding to an O atom of the carboxylate group of a symmetry-related anion. In addition, there are three N-H center dot center dot center dot O hydrogen bonds. In contrast, the neutral species hydrogen bonds via a carboxylic acid dimer. The dihedral angle between the benzene rings in the anion is 79.19 (7)degrees.

Item Type: Article
Additional Information: Department of Chemistry, Faculty of Science Building, University of Malaya, 50603 Kuala Lumpur, MALAYSIA
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Science > Department of Chemistry
Depositing User: Miss Malisa Diana
Date Deposited: 03 Apr 2013 03:53
Last Modified: 29 Jan 2019 09:03
URI: http://eprints.um.edu.my/id/eprint/5326

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