Trimethylene glycol dibenzoate

The crystal structure of trimethylene glycol dibenzoate and trimethylene glycol di-para chlorobenzoate, both model compounds for the trimethylene part of 3GT, have been determined by conventional X-ray technique (23,24). The two molecules are shown in Figures 8a and b, while their bond distances and angles are presented in Figures 9a and b. 

Figure 12. Iso-energy contours for the trimethylene section in trimethylene glycol dibenzoate and 3GT. The crosses are minimum energy positions while the dots are experimental conformations from crystal structure analysis.

Minimum Energy Conformations of Trimethylene Glycol Dibenzoate... 

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