Di-n-butylammonium 2-[(3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl]benzoate
Document Type
Article
Publication Date
1-1-2010
Abstract
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.
Publication Title
Acta Crystallographica Section E: Structure Reports Online
Volume
66
Issue
9
Publisher
International Union of Crystallography
Publisher Location
COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA