Orientations of the Water Molecules in Cobalt Dichloride Hexahydrate by Nuclear Magnetic Resonance

The orientations of the water molecules in cobalt dichloride hexahydrate have been established by study of the proton resonance spectrum. The directions of the experimentally determined proton-proton vectors are compared with a hydrogen bonding scheme which is determined from the crystal structure reported by Mizuno. The scheme is then modified to fit the experimental data. The proposed atomic parameters for the hydrogen atoms are x , y , z =(0.097, 0.313, 0.268); (0.427,0.205, 0.205); (0.191, 0.000, 0.549); (0.226, 0.500, 0.162).