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3,3′-Dibenzoyl-1,1′-dibenzyl-1,1′-(ethane-1,2-diyl)dithiourea

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Author(s): Andrzej Okuniewski | Jaroslaw Chojnacki | Barbara Becker

Journal: Acta Crystallographica Section E
ISSN 1600-5368

Volume: 68;
Issue: 3;
Start page: o619;
Date: 2012;
Original page

ABSTRACT
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 Ci = 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.

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Tangokurs Rapperswil-Jona

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