Neutron powder diffraction study of perdeuterodimethyl sulfone

The crystal structure of perdeuterodimethyl sulfone, (CD3)2SO2 or C2D6O2S, 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 h...

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Published inActa crystallographica. Section C, Crystal structure communications Vol. 63; no. 5; pp. o292 - o294
Main Author Ibberson, R. M.
Format Journal Article
LanguageEnglish
Published 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.05.2007
Wiley Subscription Services, Inc
Subjects
Chemical bonds
Chemical compounds
Crystal structure
Crystallography
Diffraction
Temperature
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Summary:The crystal structure of perdeuterodimethyl sulfone, (CD3)2SO2 or C2D6O2S, 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) Å, respectively. The molecules are distorted tetrahedra with C2v 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.
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ArticleID:AYCFA3079
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ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270107012164