Betainium trifluoroacetate

Citation
Vh. Rodrigues et al., Betainium trifluoroacetate, ACT CRYST C, 57, 2001, pp. 761-763
Citations number
34
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
57
Year of publication
2001
Part
6
Pages
761 - 763
Database
ISI
SICI code
0108-2701(200106)57:<761:BT>2.0.ZU;2-F
Abstract
The title compound, C5H12NO2+C2F3O or BET (+degrees) CF3 COO1 BET is trimet hylglycine (betaine); IUPAC: 1-carboxy-N,N,N-trimethylmethanaminium inner s alt], contains pairsof betainium and trifluoroacetate ions forming a dimer bridged by a strong hydrogen bond between the carboxyl and carboxylate grou ps of the two ions. The molecular symmetry of the cation is close to Cs, wi th protonation occurring at the carboxy O atom positioned anti to the N ato m. The trifluoroacetate anions are disordered over two positions. In one, t he conformation of the CF3 group isstaggered with respect to the carboxylat e group, in the other, it is close to an eclipsed conformation. The sole hy drogen bond present in the n and the cation.