3-Hy-droxy-pyridinium-2-carboxylate.

ABSTRACT: Comparable to many amino acids, the title compound, C(6)H(5)NO(3), is a substitution product of picolinic acid. The mol-ecule shows approximate non-crystallographic C(s) symmetry. Like many amino acids, the mol-ecule is present in its zwitterionic state. Intra- as well as inter-molecular hydrogen bonds are observed, the latter connecting the mol-ecules into zigzag chains along the crystallographic b axis. An inter-molecular C-C distance of only 3.368 (2) Å exclusively involving carbon atoms of aromatic rings (centroid-centroid separation = 3.803 Å) is indicative of π-π inter-actions connecting the mol-ecules into stacks along the crystallographic a axis.

SUBMITTER: Betz R 

PROVIDER: S-EPMC3213488 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature