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

Alhadi, A.A. and Khaledi, H. and Ali, H.M. and Olmstead, M.M. (2010) Di-n-butylammonium 2-[(3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl]benzoate. Acta Crystallographica Section E: Structure Reports Online, 66 (9). O2454-U1533. ISSN 1600-5368,

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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
Subjects: Q Science > Q Science (General)
Depositing User: Mr Faizal 2
Date Deposited: 27 Jan 2015 07:52
Last Modified: 29 Jan 2019 09:04
URI: http://eprints.um.edu.my/id/eprint/12421

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