publication . Article . Other literature type . 2009


Michael Bolte; Amin Badshah; M. Khawar Rauf;
Open Access English
  • Published: 08 Jan 2009
  • Country: Germany
The title molecule, C16H15ClN2OS, exists in the solid state in its thione form with typical thiourea C-S and C-O bonds lengths, as well as shortened C-N bonds. An intramolecular N-H...O hydrogen bond stabilizes the molecular conformation and intermolecular N-H...S hydrogen bonds link the molecules into centrosymmetric dimers. The dihedral angle between the aromatic rings is 50.18 (5)°. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; R factor = 0.032; wR factor = 0.085; data-to-parameter ratio = 15.3.
free text keywords: Chemistry, QD1-999, Organic Papers, ddc:540, Dihedral angle, Bioinformatics, Medicinal chemistry, Aromaticity, Urea, chemistry.chemical_compound, Thio-, Solid-state, Hydrogen bond

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