Repozytorium publikacji - Politechnika Gdańska

In the title compound, C₃₂H₃₀N₄O₂S₂, the carbonyl and thiocarbonyl groups are found in a rare synclinal conformation, with an S-C···C-O pseudo-torsion angle of 62.6(2)°. The molecule has C_i = S₂ point-group symmetry with a crystallographic center of inversion located in the middle of the ethylene bridge. One of the symmetry-independent phenyl rings is disordered over two orientations, with a site-occupation ratio of 70:30. The distances between the centroids of the nearest phenyl rings are equal to one of the lattice constants [a = 4.7767(2) Å], so stacking interactions are extremely weak. Molecules are joined by bifurcated hydrogen bonds (N-H···O and N-H···S), forming a ladder-like arrangement along [100]. van der Waals forces combine these ladders into a three-dimensional structure. The dependency between the S···O distance and the improper S=C···C=O torsion angle based on 739 structures containing the CC(=O)NC(=S)N moiety is discussed.

Autorzy

• dr inż. Andrzej Okuniewski link otwiera się w nowej karcie ,
• prof. dr hab. inż. Jarosław Chojnacki link otwiera się w nowej karcie ,
• prof. dr hab. inż. Barbara Becker link otwiera się w nowej karcie