Ebastine, 4-(benzhydr-yloxy)-1-[4-(4--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, CHNO·CHNO. 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 PhCH-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.
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http://dx.doi.org/10.1107/S205698901701324X | DOI Listing |
Acta Crystallogr E Crystallogr Commun
September 2022
Department of Chemistry, University of Kentucky, Lexington, KY, 40506-0055, USA.
The structure of ebastinium hydrogen fumarate {systematic name: 1-[4-(4--butyl-phen-yl)-4-oxobut-yl]-4-(di-phenyl-meth-oxy)piperidin-1-ium ()-3-carb-oxy-1-hy-droxy-prop-2-en-1-olate}, CHNO ·CHO , a 1:1 salt formed in the reaction between ebastine and fumaric acid is presented. All examined crystals were found to be twinned by pseudo-merohedry. The structure is extensively disordered, with over half (20 out of 35) its non-hydrogen atoms modelled as lying over two sets of sites.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
October 2017
School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, UK.
Ebastine, 4-(benzhydr-yloxy)-1-[4-(4--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, CHNO·CHNO. In the cation, the disubstituted aryl ring exhibits orientational disorder over two sets of atomic sites having occupancies 0.706 (4) and 0.
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