The crystal and molecular structure of thioformaldehyde trimer

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Abstract
Crystals of thioformaldehyde trimer, (CH2S)3 are orthorhombic, space group Pmn21 with a = 7.697 Å [Formula: see text], b = 7.067 Å [Formula: see text], c = 5.323 Å [Formula: see text]. There are two molecules in the unit cell with sulfur and carbon atoms in positions (4b) and (2a). The atomic parameters for sulfur and carbon have been determined from a three-dimensional analysis using observed and calculated differential syntheses with isotropic temperature factors. No absorption corrections were applied to the intensity data and no attempt has been made to establish the hydrogen positions. The final discrepancy index is R = 0.093. The molecule has the chair configuration and shows no significant difference between the lengths of any S—C bonds. The mean S—C bond distance is 1.818 Å and the standard deviation of the mean is 0.003 Å. This value is in good agreement with the commonly accepted value of 1.817 ± 0.005 Å for the S—C paraffinic bond.