Neutron powder diffraction study of perdeuterodimethyl sulfone.
The crystal structure of perdeuterodimethyl sulfone, (CD(3))(2)SO(2) or C(2)D(6)O(2)S, has been refined at 4.5 K against high-resolution neutron powder diffraction data. The structure determined previously by Sands [Z. Kristallogr. (1963), 119, 245-251] at ambient temperature is shown to remain down to liquid helium temperature, and at 4.5 K the S-C and S-O bond distances are 1.441 (2) and 1.760 (2) A, respectively. The molecules are distorted tetrahedra with C(2v) point symmetry (crystallographic symmetry m2m for S and m for C, O and one D atom) and are linked through a network of weak hydrogen bonds in the C-centred orthorhombic structure.
Ibberson
R M
RM
ISIS Facility, CCLRC - Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, England. r.m.ibberson@rl.ac.uk