The Crystal and Molecular Structure of meso-2,4-Pentanediol Borate

The crystals of meso-2,4-pentanediol borate are monoclinic with a space group of C2/c. There are eight molecules in the unit cell with dimensions of: a=15.36, b=13.53, c=7.68 Å, and β=113.3°. The crystal structure was determined by the X-ray method. The final discrepancy index is 0.121 for 1030 non-zero reflections. The molecule has a six-membered ring composed of one boron, three carbon, and two oxygen atoms. The borate group and the two carbon atoms of the pentane group are nearly co-planar. The five carbon atoms are also co-planar, and they are in trans positions. The molecule was proved to be of the meso type.