Crystal structure of methylphenylsulfoxide, C7H8OS

Eric C. Hosten, Zenixole R. Tshentu, Richard Betz
2014 Zeitschrift für Kristallographie - New Crystal Structures  
C 7 H 8 OS,orthorhombic, Pna2 1 (no. 33), a =8.2607 (4) Source of material Thec ompoundw as obtained in analogy to the procedures describedinreferences [3] [4] [5] [6] [7] . Crystals suitable for the diffraction studywereobtaineduponcooling thereaction productto0°C. Experimental details Carbon-boundHatoms were placed in calculated positions(C-H 0.95 Å) andwereincludedinthe refinement in the riding model approximation, with U iso (H) setto1.2U eq (C). The Hatoms of the methyl group were allowed
more » ... group were allowed to rotate with afixed angle around the C-C bond to best fit the experimental electron density (HFIX 137 in the SHELX program suite [11]), with U iso (H) setto1.5U eq (C).
doi:10.1515/ncrs-2014-0177 fatcat:sjlrdvox3fhmhi5fpiu6kayj7a