Acta Cryst. (2008). B64, 583-588 [ doi:10.1107/S0108768108019460 ]
Abstract: The structure of a co-crystal with both trans and cis isomers of 1,4-cyclohexanediol (1,4-CHD) is reported. The intermolecular hydrogen-bond patterns are described and compared with those of the all trans structure, using the graph-set model. A second crystal with possible cis/trans disorder is also described. The results of molecular modeling of the simple isomers and conformers are compared with the known structures.
Keywords: hydrogen bonding; graph-set model; molecular geometry.
 |   Structure factor file (CIF format) (116.7 kbytes) |
| Structure factor file (CIF format) (102.4 kbytes) |
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