Crystal structure of ebastinium 3,5-di-nitro-benzoate.

Acta Crystallogr E Crystallogr Commun

School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, UK.

Published: October 2017

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://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730306PMC
http://dx.doi.org/10.1107/S205698901701324XDOI Listing

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Synthesis and crystal structure of ebastinium hydrogen fumarate.

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Department of Chemistry, University of Kentucky, Lexington, KY, 40506-0055, USA.

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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.

View Article and Find Full Text PDF

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