Back to Search Start Over

Crystal structure of ebastinium 3,5-dinitrobenzoate

Authors :
Mohammed A. E. Shaibah
Belakavadi K. Sagar
Hemmige S. Yathirajan
S. Madan Kumar
Christopher Glidewell
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 10, Pp 1513-1516 (2017)
Publication Year :
2017
Publisher :
International Union of Crystallography, 2017.

Abstract

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−. 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.

Details

Language :
English
ISSN :
20569890
Volume :
73
Issue :
10
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.f6101dd49ab24838b0f5bc7cb7c520f4
Document Type :
article
Full Text :
https://doi.org/10.1107/S205698901701324X