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

Your account

login

Search

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.

Citations

  • 1 6

    CrossRef

  • 0

    Web of Science

  • 2 0

    Scopus

Authors (3)

Cite as

Full text

download paper
downloaded 53 times
Publication version
Accepted or Published Version
DOI:
Digital Object Identifier (open in new tab) 10.1107/S1600536812002954
License
Creative Commons: CC-BY open in new tab

Keywords

Details

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

seen 172 times

Recommended for you

Synthesis, structure characterization and thermal propertiesof [Zr<sub>6</sub>(μ<sub>3</sub>-O)<sub>4</sub>(μ<sub>3</sub>-OH)<sub>4</sub>(OOCCH<sub>2</sub><sup>t</sup>Bu)<sub>9</sub>(μ<sub>2</sub>-OH)<sub>3</sub>]<sub>2</sub>

2009

(S)-trans-cyclohexane-1,2-dicarboximide. Acta Cryst. Sect.C Crystal Struct.Commun.**2002 vol. 58 s. 0661-0662, 2 rys. 2 tab. bibliogr. 12 poz. Imid kwasu (S)-trans-cykloheksanodikarboksylowego.

2002

Potassium Tri-tert-butoxysilanethiolates: Synthesis, Properties, and Crystal and Molecular Structures of [(tBuO)3SiSK]6[THF]2&middot;2THF, {[(tBuO)3SiS]2K2}n, and [(tBuO)3SiSK]4[H2O]4&middot;C6H6

2009

2,4,6-Trimethylbenzamide.

2004
Meta Tags