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Diethyl 3,8-dimethyl-4,7-diazadeca-2,8-dienedioate
Zhi-Min Jin1, Li Li, Mei-Chao Li
1College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, People's Republic of China. zimichem@sina.com
Acta Crystallographica. Section C, Crystal Structure Communications
|September 4, 2004
Summary
This study reveals the crystal structure of a C14H24N2O4 compound, highlighting its symmetric cis conformation and the interplay between ionic enol and keto forms. Supramolecular chains are formed via N-H...O hydrogen bonds in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding molecular structure and conformation is crucial in chemistry.
- Hydrogen bonding plays a key role in crystal engineering and material properties.
- The interplay between different tautomeric forms (enol and keto) can influence molecular behavior.
Purpose of the Study:
- To elucidate the crystal structure of the title compound (C14H24N2O4).
- To investigate the molecular conformation and symmetry.
- To analyze the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, angles, and intermolecular contacts was performed.
- Conformational analysis and tautomeric form contributions were assessed.
Main Results:
- The title compound exhibits a cis conformation with a twofold symmetry axis relating two moieties.
- Both ionic enol and non-ionic keto tautomeric forms contribute significantly to the observed structure.
- Infinite supramolecular chains were successfully identified, formed by N-H...O hydrogen bonds.
Conclusions:
- The crystal structure provides detailed insights into the solid-state arrangement of C14H24N2O4.
- The molecule's conformation and the significant contribution of both enol and keto forms are key structural features.
- N-H...O hydrogen bonding is the primary driving force for the formation of extended supramolecular structures.