organic compounds
Open access
The title molecule, C4OS5, is essentially planar, with an r.m.s. deviation of 0.032 (3) Å. All the C—S single bonds are shorter than the standard Csp3—S single-bond length, showing the π-conjugated nature of the molecule. In the crystal, molecules lie parallel to one another and pack in columns along the a axis. Short intermolecular SS contacts [3.314 (3), 3.482 (2) and 3.501 (2) Å] are observed between the columns. The angle between the two molecular dipole moments in the unit cell is 39.3 (1)° and the macro-polarization vector is along the [1 0 − 1.41] direction. As a result of the high polarization and π-conjugation of the structure, the crystalline powder exhibits a second harmonic generating intensity, which is as strong as that of the urea standard powder crystals, when irradiated by a 1053 nm laser beam. The diffraction space of the crystal showed a nonmerohedral twinning.