Abstract
Ebastine, 4-(benzhydr-yloxy)-1-[4-(4-tert-butyl-phen-yl)-4-oxobut-yl]piperidine, reacts with 3,5-di-nitro-benzoic acid in methanol solution to give the title 1:1 salt, ebastinium 3,5-di-nitro-benzoate, C32H40NO2+·C7H3N2O6-. In the cation, the disubstituted aryl ring exhibits orientational disorder over two sets of atomic sites having occupancies 0.706 (4) and 0.294 (6), with a dihedral angle of 41.2 (5)° between the two orientations: the bulky Ph2CH-O- substituent occupies an axial site on the piperidine ring. The two ions in the selected asymmetric unit are linked by a nearly linear N-H⋯O hydrogen bond and this, in combination with two C-H⋯O hydrogen bonds, links the ions into complex sheets.
Highlights
Ebastine, 4-(benzhydryloxy)-1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidine, reacts with 3,5-dinitrobenzoic acid in methanol solution to give the title 1:1 salt, ebastinium 3,5-dinitrobenzoate, C32H40NO2+C7H3N2O6
4-(benzhydryloxy)-1-[4-(4-tert-butylphenyl)-4oxobutyl]piperidine, is a non-sedating second generation H1 receptor antagonist, which is effective in the treatment of both allergic rhinitis, whether seasonal or perennial, and chronic idiopathic urticaria (Wiseman & Faulds, 1996; Van Cauwenberge et al, 2004)
The molecular structure of the ionic components of compound (I), showing the atom-labelling scheme, the N—H O hydrogen bond within the selected asymmetric unit, and the orientational disorder of the disubstituted aryl ring
Summary
4-(benzhydryloxy)-1-[4-(4-tert-butylphenyl)-4oxobutyl]piperidine, is a non-sedating second generation H1 receptor antagonist, which is effective in the treatment of both allergic rhinitis, whether seasonal or perennial, and chronic idiopathic urticaria (Wiseman & Faulds, 1996; Van Cauwenberge et al, 2004). The structure of ebastine has been the subject of two recent reports (Cheng et al, 2005: Sharma et al., 2015). We report the molecular and supramolecular structure of the 1:1 salt ebastinium 3,5-dinitrobenzoate (I), formed in the reaction between ebastine and 3,5-dinitrobenzoic acid
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