X-ray structure of an unusual glycoluril derivative conformation: Structural analysis and influencing factors

The synthesis and X-ray structure of a novel glycoluril derivative are described. The crystal of the glycoluril derivative is obtained by slow evaporation in a refrigerator at about 5 degrees C. X-ray crystallographic analysis revealed that the compound crystallized in an unusual as conformation instead of the usual clip-shaped aa conformation. Structural analysis shows that the solvation effect, hydrogen bonding, and space-occupying effect influenced the crystallization conformation of the derivative. The X-ray crystallographic analysis in this work provides additional crystallographic evidence of the as conformation of the 3U glycoluril derivative and shows the effect of solvent water on the conformational behavior.

Automated summary

This study describes the synthesis and X-ray structure of a novel glycoluril derivative. The compound crystallized in an unusual as conformation, influenced by solvation effect, hydrogen bonding, and space-occupying effect. The X-ray crystallographic analysis provides evidence of the as conformation of the glycoluril derivative and demonstrates the impact of solvent water on its conformational behavior.