Rubidium bis(2-methyllactato)borate monohydrate

Govindharajan Gokila,Chidambaram Ramachandra Raja,Aravazhi Amalan Thiruvalluvar

doi:10.1107/s2414314619000397

Abstract

The asymmetric unit of the inorganic–organic hybrid salt, poly[aqua[μ4-bis(2-methyllactato)borato]rubidium], [Rb(C8H12BO6)(H2O)] n , comprises a rubidium cation, a bis(2-methyllactato)borate anion, and a water molecule of crystallization. The rubidium cation is pseudo-octahedrally coordinated by five O atoms from four bis(2-methyllactato)borate ligands and by a water molecule. The presence of four coordinating O atoms within the anion lead to the formation of a polymeric three-dimensional framework structure that is consolidated by additional O—H...O hydrogen-bonding interactions.

Highlights

The asymmetric unit of the inorganic–organic hybrid salt, poly[aqua[4-bis(2methyllactato)borato]rubidium], [Rb(C8H12BO6)(H2O)]n, comprises a rubidium cation, a bis(2-methyllactato)borate anion, and a water molecule of crystallization
The rubidium cation is pseudo-octahedrally coordinated by five O atoms from four bis(2-methyllactato)borate ligands and by a water molecule
The presence of four coordinating O atoms within the anion lead to the formation of a polymeric three-dimensional framework structure that is consolidated by additional O—HÁ Á ÁO hydrogen-bonding interactions

Summary

Structure description

Alkaline cations such as lithium and potassium are used in the development of batteries. Allen et al (2012) have reported the crystal structure of lithium bis(2-methyllactato)borate monohydrate. Alkaline cations such as lithium and potassium are used in the development of batteries. Allen et al (2012) have reported the crystal structure of lithium bis(2-methyllactato)borate monohydrate. In our current study we have replaced the lithium cation by a rubidium cation and report here single-crystal growth and structural analysis of rubidium bis(2-methyllactato)borate monohydrate. Whereas the lithium salt crystallizes in the space group Pbca with Z = 8, the rubidium salt crystallizes in space group P21/n with Z = 4. The asymmetric unit of the title compound comprises a rubidium cation, a bis(2methyllactato)borate anion, and a water molecule of crystallization (Fig. 1). The structural features of the anion are very similar to that of the lithium salt (Allen et al, 2012), in particular with respect to B—O bond lengths (Table 1). Symmetry codes: (i) x À 1; y; z; (ii) Àx þ 1; Ày þ 2; Àz þ 1; (iii) Àx þ 12; y þ 12; Àz þ 32

DÁ Á ÁA

Synthesis and crystallization

Absorption correction

Data collection

Special details