Potassium bis(2-methyllactato)borate hemihydrate

Govindharajan Gokila,Aravazhi Amalan Thiruvalluvar,Chidambaram Ramachandra Raja

doi:10.1107/s2414314619002025

Abstract

The asymmetric unit of the title organic–inorganic hybrid salt poly[aquabis[μ3-bis(2-methyllactato)borato]dipotassium], [K(C8H12BO6)(H2O)0.5] n , consists of one bis(2-methyllactato)borate anion, one potassium cation and one water molecule that shows half occupancy due to disorder around a twofold rotation axis. The potassium cation is pseudo-octahedrally coordinated by five O atoms of four symmetry-related bis(2-methyllactato)borate ligands and by the half-occupied water molecule. O—H...O hydrogen bonds between the water molecule and one of the borate O atoms of the bis(2-methyllactato)borate ligand are present in the crystal structure.

Highlights

The asymmetric unit of the title organic–inorganic hybrid salt poly[aquabis[3bis(2-methyllactato)borato]dipotassium], [K(C8H12BO6)(H2O)0.5]n, consists of one bis(2-methyllactato)borate anion, one potassium cation and one water molecule that shows half occupancy due to disorder around a twofold rotation axis
O—HÁ Á ÁO hydrogen bonds between the water molecule and one of the borate O atoms of the bis(2-methyllactato)borate ligand are present in the crystal structure
We report here the growth and structural analysis of potassium bis(2-methyllactato)borate hemihydrate, prepared by the slow evaporation method

Summary

Structure description

Lithium-based salts are used in the development of lithium-ion batteries. Allen et al (2012) have reported the structure of lithium bis(2-methyllactato)borate monohydrate. Allen et al (2012) have reported the structure of lithium bis(2-methyllactato)borate monohydrate. In our investigations we have replaced lithium by another alkali cation, i.e. rubidium (Gokila et al, 2019). In this context, we report here the growth and structural analysis of potassium bis(2-methyllactato)borate hemihydrate, prepared by the slow evaporation method. Whereas the lithium and rubidium salts crystallize in the space group Pbca with Z = 8 and P21/n with Z = 4, respectively, the potassium title salt crystallizes in the space group C2/c with Z = 8. The asymmetric unit of the title compound consists of one bis(2-methyllactato)borate anion, a potassium cation and a water molecule (half occupancy) disordered about a twofold rotation axis (Fig. 1).

DÁ Á ÁA

Data collection Diffractometer Absorption correction

Synthesis and crystallization

Data collection

Special details