Betaine betainium hydrogen oxalate

Citation
Vh. Rodrigues et al., Betaine betainium hydrogen oxalate, ACT CRYST C, 57, 2001, pp. 213-215
Citations number
29
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
2
Pages
213 - 215
Database
ISI
SICI code
0108-2701(200102)57:<213:BBHO>2.0.ZU;2-2
Abstract
The title compound, C5H12NO2+.C2HO4-.C5H11NO2 or HC2O4-. (HBET . BET)(+) [B ET is trimethylglycine (betaine); IUPAC name: 1-carboxy-N,N,N-trimethylmeth anaminium hydroxide inner salt], contains pairs of betaine molecules bridge d by an H atom, forming dimers linked by a strong hydrogen bond. The hydrog en oxalate anions have a rather unusual star conformation, with an internal torsion angle of 70.1 (4)degrees. The betaine-betainium dimers are anchore d between two zigzag chains of hydrogen oxalate molecules hydrogen bonded h ead-to-tail running parallel to the b axis. An extended network of C-H . . .O interactions links the anionic chains to the cationic dimers.