TY - JOUR
T1 - Structure determination and phase transition behaviour of dimethyl sulfate
AU - Ibberson, Richard M.
AU - Telling, Mark T.F.
AU - Parsons, Simon
PY - 2006/4
Y1 - 2006/4
N2 - The crystal structures of phase I and phase II of dimethyl sulfate, (CH3O)2SO2, have been determined using complementary high-resolution neutron powder and single-crystal X-ray diffraction techniques. Below its melting point of 241 K dimethyl sulfate crystallizes in an orthorhombic structure (I) in the space group Fdd2. On cooling below ∼175 K the crystal transforms to a monoclinic structure (II) in the space group I2/a. The molecule is located on a twofold axis (Z′ = 1/2) in both structures. The phase transition is of first order with strong hysteresis. The phase transition results in changes to both the intra- and the intermolecular coordination environment.
AB - The crystal structures of phase I and phase II of dimethyl sulfate, (CH3O)2SO2, have been determined using complementary high-resolution neutron powder and single-crystal X-ray diffraction techniques. Below its melting point of 241 K dimethyl sulfate crystallizes in an orthorhombic structure (I) in the space group Fdd2. On cooling below ∼175 K the crystal transforms to a monoclinic structure (II) in the space group I2/a. The molecule is located on a twofold axis (Z′ = 1/2) in both structures. The phase transition is of first order with strong hysteresis. The phase transition results in changes to both the intra- and the intermolecular coordination environment.
UR - http://www.scopus.com/inward/record.url?scp=33645290209&partnerID=8YFLogxK
U2 - 10.1107/S0108768106001893
DO - 10.1107/S0108768106001893
M3 - Article
AN - SCOPUS:33645290209
SN - 0108-7681
VL - 62
SP - 280
EP - 286
JO - Acta Crystallographica Section B: Structural Science
JF - Acta Crystallographica Section B: Structural Science
IS - 2
ER -