publication . Article . Other literature type . 2008

1-(2,6-Dichloro-benzo-yl)-3-(3,5-dichloro-phen-yl)thio-urea.

Amin Badshah; M. Khawar Rauf; Michael Bolte;
Open Access English
  • Published: 20 Dec 2008
  • Country: Germany
Abstract
The crystal structure of the title compound, C14H8Cl4N2OS, is composed of discrete molecules with bond lengths and angles quite typical for thiourea compounds of this class. The plane containing the central SONNCC atom set subtends a dihedral angle of 31.47 (3)° with the benzene ring. An intramolecular N-H...O hydrogen bond stabilizes the molecular conformation and the molecules form centrosymmetric dimers via intermolecular N-H...S hydrogen bonds. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; R factor = 0.032; wR factor = 0.087; data-to-parameter ratio = 17.9.
doi: 10.1107/s1600536808042736
pmc: PMC2968087
pmid: 21581633
Subjects
free text keywords: QD1-999, Organic Papers, ddc:540, Thio-, Chemistry, Dihedral angle, Benzene, chemistry.chemical_compound, Crystal structure, Bioinformatics, Atom, Bond length, Hydrogen bond, Crystallography, Urea
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