Hydrogen bond patterns in 3-carboxypiperidinium semi-oxalate monohydrate

Abstract

The crystal structure of compound C6H12NO2·C2HO4·H2O, or NIPE·OXAL·HYDR, is an ionic ensemble assisted by hydrogen bonds established between NIPE+ cations, OXAL− semi-oxalate anions and water molecules.The molecules are connected by O--H···O and N--H···O hydrogen bonds, forming linear ∙∙∙semi-oxalate∙∙∙semi-oxalate∙∙∙ chains extending along the a axis and described by the graph-set motif C(5). These chains interact with the NH2+ group of NIPE+ and the water molecules building a two-dimensional crystal packing of rings described by graph-set R21(5), R24(8) and R55(19), with corrugated layers running parallel to the (001) plane, and separated by hydrophobic interactions at c/2. Analyzes of the structures of the individual components and the hydrogen-bond network of the crystal structure are given.

Keywords

• Single-crystal X-ray diffraction
• Hydrogen bonding
• multi-component crystal