Crystal and molecular structure of N-methyl-N-3(sulfonato)propyl-3-[tris(trimethylsiloxanyl)3-silyl]pyrrolinium sulfobetaine hydrate at room temperature and 163 K
R. Rudert et G. Schmaucks, Crystal and molecular structure of N-methyl-N-3(sulfonato)propyl-3-[tris(trimethylsiloxanyl)3-silyl]pyrrolinium sulfobetaine hydrate at room temperature and 163 K, CRYST RES T, 35(5), 2000, pp. 625-633
2 (C17H41NO6SSi4) H2O. M-r = 1017.88, triclinic, space group P 1. The molec
ules are arranged in bilayers. The molecules in each bilayer are held toget
her by electrostatic forces, i.e., O-N+ contacts, and hydrogen bonds. The a
symmetric unit consists of two partly disordered siloxane molecules and one
water molecule. The structure of the bilayers is virtually the same at 163
K and room temperature, but the stacking of the bilayers is different. The
Si-O-Si bond angles at low temperature are significiantly smaller than at
room temperature.