X-ray structure of 6-(N,N-dimethylcarbamoyl)thioquinanthrene

The crystal and molecular structures of 6-(N,N-dimethylcarbamoyl)thioquinanthrene 1 have been determined as monoclinic, with space group C2/c, a = 22.484(4) Å, b = 10.251(2) Å, c = 16.972(3) Å, = 110.18(3)°. Due to the 6-dimethylcarbamoyl substituent causing overcrowding in the environment of position 6-, the carbonyl group carbon atom (C61) deviates from planarity with the parent pyridine ring by 0.249(8) Å, and differences between respective bond lengths and bond angles in both pyridine rings by about of 4–5 are also observed. X-ray data show spatial non-equivalency of N-methyl groups. The values of the S······S,S······O distances are well below the sum of the van der Waals radii of the heteroatoms.