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Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis-(malonato)borate monohydrate
Ramalingam Selvi1, Govindharajan Gokila1, Aravazhi Amalan Thiruvalluvar2
1Department of Physics, Government College for Women (Autonomous), (affiliated to Bharathidasan University), Kumbakonam 612 001, Tamilnadu, India.
Abstract:
In the title salt, poly[aqua-[μ4-bis-(malonato)borato]sodium], {[Na(C6H4BO8)]·H2O} 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 tetra-hedral 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%).
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