Crystal structure of ebastinium 3,5-dinitrobenzoate
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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.
Shaibah , M A E , Sagar , B K , Yathirajan , H S , Kumar , S M & Glidewell , C 2017 , ' Crystal structure of ebastinium 3,5-dinitrobenzoate ' Acta Crystallographica Section E , vol 73 , no. 10 , pp. 1513-1516 . DOI: 10.1107/S205698901701324X
Acta Crystallographica Section E
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DescriptionBKS thanks the UGC for the award of a Rajiv Gandhi National Fellowship.
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