Ontology highlight
ABSTRACT:
SUBMITTER: Rammohan A
PROVIDER: S-EPMC5290571 | biostudies-literature | 2017 Feb
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Crystallographic communications 20170120 Pt 2
The crystal structure of the title compound, 3Rb<sup>+</sup>·C<sub>6</sub>H<sub>5</sub>O<sub>7</sub><sup>3-</sup>·H<sub>2</sub>O, has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The hy-droxy group participates in an intra-molecular hydrogen bond to the deprotonated central carboxyl-ate group with graph-set motif <i>S</i>(5). The water mol-ecule acts as a hydrogen-bond donor to both terminal and central carboxyl-ate O ...[more]