Crystal structure of ebastinium 3,5-dinitrobenzoate

Mohammed A. E. Shaibah, Belakavadi K. Sagar, Hemmige S. Yathirajan, S. Madan Kumar, Christopher Glidewell

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)


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.
Original languageEnglish
Pages (from-to)1513-1516
Number of pages4
JournalActa Crystallographica Section E
Issue number10
Early online date19 Sept 2017
Publication statusPublished - Oct 2017


  • Molecular structure
  • Disorder
  • Conformation
  • Hydrogen bonding
  • Supramolecular assembly


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