Synthesis and Crystal Structure of Benzyltrimethylammonium Dicitratoborate Monohydrate

Benzyltrimethylammonium dicitratoborate [C6H5CH2N(CH3)3][(C6H6O7)2B] · H2O (I) has been synthesized and separated out in the form of single crystals for the first time. Its crystal structure has been studied by X-ray diffraction. Crystals are triclinic with a = 10.0832(2) Å, b = 11.1232(3) Å, c = 11.9617(3) Å, α = 84.874(1)°, β = 73.520(1)°, γ = 85.550(1)°, Z = 2, space group P-1. The structure has been solved by direct methods and refined by the full-matrix least-squares technique in the anisotropic approximation up to R = 0.0485 (Bruker-Nonius KappaCCD automatic diffractometer, λMoK α). The crystal structure of compound I is based on centrosymmetric dimers that consist of complex anions and water molecules and linked by the system of hydrogen bonds into a three-dimensional framework. The crystals of compound I contains five asymmetric O-H...O hydrogen bonds. A specific feature of the structure is the formation of -COO...H...H2O hydrogen bonds, in which the carboxyl proton is considerably shifted towards the water molecule

Synthesis and Crystal Structure of the Complex N,N-Dimethylanilinium Dicitratoborate Monohydrate = Синтез и кисталлическая структура комплекса N,N-диметиланилиния с бородилимонной кислотой

N,N-Dimethylanilinium dicitratoborate monohydrate [C6H5NH(CH3)2][(C6H6O7)2B]·H2O (I) was synthesized for the first time. Single crystals were obtained in an aqueous solution; the crystal structure was studied by X-ray crystallography. Crystals of I are triclinic, space group P1 ¯ , a = 9.7017(2) Å, b = 11.0475(2) Å, c = 12.6282(2) Å, α = 106.595(2)°, β = 106.931(1)°, Γ = 103.568(1)°, V = 1163.97(4) Å3, Z = 2, ρcalc = 1.516 g/cm3. The structural units of compound 1 are large complex dicitratoborate anions with a spiran structure, N,N-dimethylanilinium cations, and crystal water molecules. The crystal packing is a three-dimensional framework. A hydrogen-bond system is formed by seven independent contacts O(N)-H…O