Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis(malonato)borate monohydrate

Abstract

In the title salt, poly[aqua[μ4-bis(malonato)borato]sodium], {[Na(C6H4BO8)]·H2O}n or Na+·[B(C3H2O4)2]−·H2O, the sodium cation exhibits fivefold coordination by four carbonyl O atoms of the bis(malonato)borate anions and a water O atom. The tetrahedral B atom at the centre of the anion leads to the formation of a polymeric three-dimensional framework, which is consolidated by C—H...O and O—H...O hydrogen bonds. A Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are H...O/O...H (49.7%), Na...O/O...Na (16.1%), O...O (12.6%), H...H (10.7%) and C...O/O...C (7.3%).

Keywords

• synthesis
• crystal structure
• bis(malonato)borate anion
• sodium
• hirshfeld surface analysis.