Crystal structures of sodium dimethyl sulfosuccinate and sodium diethyl sulfosuccinate

Abstract

The crystal structures of sodium dimethyl sulfosuccinate and sodium diethyl sulfosuccinate have been determined by the single crystal X-ray diffraction method. Sodium dimethyl sulfosuccinate (SDMS, C 6H 9O 7SNa·H 2O, Mr = 266.20) crystallizes in a triclinic space group P 1 ̄ with unit cell dimensions a = 5.5971 (8), b = 6.5388 (5), c = 15.267 (2) A ̊ , α = 77.855 (8), β = 85.90 (1), γ = 84.95 (1)°. The crystal of sodium diethyl sulfosuccinate (SDES, C 8H 13O 7SNa·3H 2O, Mr = 330.29) has a monoclinic space group C2/c with unit cell dimensions a = 34.754 (3), b = 6.0322 (7), c = 15.0777 (9) A ̊ , β = 104.385 (7)°. In the SDMS and SDES crystals, the Na + ion, which is coordinated to six oxygen atoms, forms an octahedral structure. For SDMS, the Na + ion is coordinated to four oxygen atoms of SO 3 − groups and to the two oxygen atoms of water molecules of hydration. For SDES, the Na + ion is coordinated to the oxygen atom of the β-chain CO group, one of the SO 3 − oxygen atoms and four oxygen atoms of hydrating water molecules. It was found that splitting of the CO stretch band caused by the Na…OC coordination occurs in the IR and Raman spectra of SDES.