Collect. Czech. Chem. Commun. 1984, 49, 2363-2370

Crystal and molecular structure of carbonylcyanide-4-chlorophenylhydrazone(4-chlorophenylhydrazonopropanedinitrile)

Viktor Vrábela, Ernest Šturdíkb, Michal Dunaj-Jurčoc, Jan Lokaja and Ján Garaja

a Department of Analytical Chemistry
b Department of Biochemical Technology
c Department of Inorganic Chemistry, Faculty of Chemical Technology, Slovak Institute of Technology, 812 37 Bratislava


The crystal structure of carbonylcyanide-4-chlorophenylhydrazone was solved by the single crystal X-ray diffraction method and interpreted by the heavy atom method. The compound crystallizes in the P21/c monoclinic group with 4 molecules per unit cell and with lattice parameters: a = 1.1843(3), b = 0.5944(1), c = 1.4922(3) nm and β = 117.92(2)°. The structure was refined by the least squares method for 1 078 observed reflections to a final value of R = 4.9%. The crystal structure consists of monomeric units, where hydrogen bonds were observed between atoms N3...H5 0.2193 nm and N3...H3 0.2404 nm between two molecules transformable through centre of symmetry -x, -y, -z. The name 4-chlorophenylhydrazonopropanedinitrile is recommended for the studied compound on the basis of this X-ray structural analysis.