Tetrazole studies. Part III. Crystal structure of 5-[(3-chlorobenzyl)dimethylammonio] tetrazolide

Abstract

Crystals of the title compound (I) are monoclinic, space group P2₁/a, with a= 16.277 ± 0.008, b= 10.842 ± 0.008, c= 6.407 ± 0.004 Å, β= 98.81°. The structure was solved by the symbolic addition procedure from 879 observed reflections, measured by diffractometer, and refined by full-matrix least-squares to R 0.060. The compound has an ylide stgructure with a positively charged quaternary nitrogen atom, the tetrazole ring carrying an equalizing overall negative charge. There are no significant changes in bond lengths within this negatively charged tetrazole ring, compared with those previously measured in uncharged rings.