X-Ray Structural Analysis and Vibrational Spectra of Sodium Cysteine-S-sulfonate, +H3NCH(COO-)CH2S2O3Na • 3/2H2O [1]

Abstract

The title compound crystallizes orthorhombically (space group C 2221) with a = 797.0, b = 870.3 and c = 2739.0 pm. The anions are zwitterions which are heavily involved in intra- and intermolecular NH •••O and OH•••O hydrogen bonding. The two types of sodium cations are coordinated by six oxygen atoms each of which belongs to either SO3 groups (Na 2) or water molecules and SO3 groups (Na1). A second type of water molecules is not coordinated to the cations. The SS bond length is 208.2 pm. Infrared and Raman spectra of the title compound are reported and tentatively assigned. The SS stretching vibration is observed at 409 cm-1.