3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea - Publication - Bridge of Knowledge

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

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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DOI:
Digital Object Identifier (open in new tab) 10.1107/S1600536812002954
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Category:
Articles
Type:
artykuł w czasopiśmie wyróżnionym w JCR
Published in:
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE no. 68,
ISSN: 1600-5368
Language:
English
Publication year:
2012
Bibliographic description:
Okuniewski A., Chojnacki J., Becker B.: 3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea// ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. -Vol. 68, nr. iss. 3 (2012),
DOI:
Digital Object Identifier (open in new tab) 10.1107/s1600536812002954
Verified by:
Gdańsk University of Technology

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