Abstract
The title compound {systematic name: (2S)-2-aza-niumyl-3-[(2-carb-oxy-ethane)-sulfon-yl]propano-ate}, C(6)H(11)NO(6)S, forms enanti-opure crystals in the monoclinic space group P2(1) and exists as a zwitterion, with a protonated α-amino group and a deprotonated α-carboxyl group. Both the carboxyl groups and the amino group are involved in an extensive multicentered inter-molecular hydrogen-bonding scheme. In the crystal, the diperiodic network of hydrogen bonds propagates parallel to (101) and involves inter-connected heterodromic R (4) (3)(10) rings. Electrostatic forces are major contributors to the structure energy, which was estimated by DFT calculations as E (total) = -333.5 kJ mol(-1).