Further refinement of the crystal structure of neovitamin B12
Abstract
The molecular structure of neovitamin B12 has been elucidated by X-ray crystallographic analysis from diffractometer data. The crystal structure was solved by means of the anomalous dispersion technique and shown to be cyano-13-epicobalamin, an isomer of cyanocobalamin, vitamin B12. Both vitamin B12 and neovitamin B12 are parent compounds of two isomeric series. The compound crystallises in space group P212121 with Z= 4 in a unit cell of dimensions: a= 24·98, b= 22·06, c= 15·74 Å. The structure was refined by least-squares techniques to R 0·159 for 2986 independent reflections.