X-RAY STRUCTURE OF 6-(N,N-DIMETHYLCARBAMOYL)THIOQUINANTHRENE

The crystal and molecular structures of 6-(N,N-dimethylcarbamoyl)thioq uinanthrene 1 have been determined as monoclinic, with space group C2/ c, a = 22.484(4) Angstrom, b = 10.251(2) Angstrom, c = 16.972(3) Angst rom, beta = 110.18(3)degrees. Due to the 6-dimethylcarbamoyl substitue nt causing overcrowding in the environment of position 6-, the carbony l group carbon atom (C61) deviates from planarity with the parent pyri dine ring by 0.249(8) Angstrom, and differences between respective bon d lengths and bond angles in both pyridine rings by about of 4-5 sigma are also observed. Xray data show spatial non-equivalency of N-methyl groups. The values of the S ...... S, S ...... O distances are well b elow the sum of the van der Waals radii of the heteroatoms.