title: 4,5-propylenedithio-1,3-dithiole-2-thione and 4,5-propylenedithio-1,3-dithiol-2-one.
abstract: 4,5-Propylenedithio-1,3-dithiole-2-thione, C(6)H(6)S(5), (I), crystallizes in the centrosymmetric space group P2(1)/c. The molecular packing is characterized by pairs of S.S intermolecular contacts between neighbouring molecules, which may account for the rather high thermal stability of the crystal. 4,5-Propylenedithio-1,3-dithiol-2-one, C(6)H(6)OS(4), (II), in which an O atom replaces the terminal S atom of (I), crystallizes in the non-centrosymmetric polar space group Cc. The packing pattern of (II) indicates that the macropolarization direction is along [101]. Although the packing patterns are qualitatively significantly different, the molecular structures of (I) and (II) are similar, each exhibiting a chair conformation.
authors: State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, Shandong Province, People's Republic of China.
authors: Gang
authors: G
authors: Xue
authors: Qi
authors: Q
authors: Fang
authors: Wentao
authors: W
authors: Yu