Synthesis and crystal structure of the calcium chloride complex with ε-caprolactam

The compound of the CaCl2·2CL·H2O composition, where CL is ε-caprolactam, has been prepared and studied by X-ray crystallography. The crystals are monoclinic, space group P2 1/n, unit cell parameters a = 6.042(3) Å, b = 6.086(3) Å, c = 26.105(10) Å, β= 94.62(4)°, V = 956.8(7) Å3, Z = 2. The structure of the compound is molecular. The molecular packing is stack-layered; the layers are perpendicular to the z. axis. Each ε-caprolactam molecule has its standard chair conformation. Both ε-caprolactam molecules are coordinated to the Ca atom through the carbonyl oxygen atom.