Crystal and molecular structure of an octamer of acetonitrile oxide
Abstract
Crystals of (CH3CNO)8 are monoclinic, space group C2/c, with Z= 8 in a unit cell of dimensions a= 23.915(7), b=17.467(6), c= 11.169(4)Å, β= 100.71(6)°. Diffractometer data yielded 2169 observed reflections. The structure was solved by direct methods and refined by a least-squares procedure to R 0.071. The molecule is a cyclic octamer of acetonitrile oxide with anti-CH3 configuration at all double bonds.