Abstract
In the title molecule, C15H12Cl2N2O2S, the dihedral angle between the two benzene rings is 76.66 (5)°. The thiocarbonyl and carbonyl groups are almost coplanar, the relevant torsion angles deviating by not more than 6° from 0°; an intramolecular N—H⋯O hydrogen bond, forming a six-membered ring commonly observed in this class of compounds, may be responsible for this geometric feature. In the crystal structure, intermolecular N—H⋯S hydrogen bonds link the molecules into centrosymmetric dimers.
Highlights
The two aromatic rings in the title compound, C15H12Cl2N2O2S, enclose a dihedral angle of 37.49 (6)
Molecules are connected by N—HÁ Á ÁO and N—HÁ Á ÁS hydrogen bonds, forming chains running along the a axis
C11—C16—Cl2 C26—C21—C22 C26—C21—N2 C22—C21—N2 C23—C22—C21 C23—C22—H22 C21—C22—H22 O2—C23—C24 O2—C23—C22 C24—C23—C22 C25—C24—C23 C25—C24—H24 C23—C24—H24 C24—C25—C26 C24—C25—H25 C26—C25—H25 C21—C26—C25 C21—C26—H26 C25—C26—H26 O2—C27—H27A O2—C27—H27B H27A—C27—H27B O2—C27—H27C H27A—C27—H27C H27B—C27—H27C O2—C27'—H27D
Summary
The molecule 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—HÁ Á ÁO hydrogen bond stabilizes the molecular conformation. Molecules are connected by N—HÁ Á ÁO and N—HÁ Á ÁS hydrogen bonds, forming chains running along the a axis. Related literature For general background, see: Darlington et al (1996); Dowding & Leeds (1971); Sasse et al (1969); Khawar Rauf et al, (2006a,b,c, 2007); Santrucek & Krepelka (1988); Teruhisa et al (1972). See: Khawar Rauf et al (2006a,b,c, 2007). For a description of the Cambridge Database, see: Allen, (2002)
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