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Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
1-(2-Hy-droxy-3,5-dimeth-oxy-phen-yl)ethanone
Wenming Li1, Xiaobo Li, Yuqing Duan
1Tianjin Key Laboratory on Technologies Enabling Development of Clinical, Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin 300070, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 20, 2012
Summary
The crystal structure of C(10)H(12)O(4) reveals a planar molecular conformation. Intramolecular hydrogen bonding forms a stable ring, with van der Waals forces governing crystal packing.
Area of Science:
- Crystallography
- Molecular structure analysis
- Organic chemistry
Background:
- Understanding molecular geometry and intermolecular forces is crucial in materials science.
- C(10)H(12)O(4) is a compound of interest for its potential applications.
- Previous studies on similar compounds highlight the importance of hydrogen bonding in crystal lattice formation.
Purpose of the Study:
- To elucidate the three-dimensional molecular and crystal structure of C(10)H(12)O(4).
- To identify the types and significance of bonding interactions within the crystal structure.
- To provide a foundation for predicting the physical and chemical properties of the compound.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
- Analysis of crystallographic data to assess planarity and identify hydrogen bonding networks.
- Computational methods may be used for further analysis of electronic structure and intermolecular interactions.
Main Results:
- The non-hydrogen atoms of C(10)H(12)O(4) exhibit a nearly planar geometry, with minimal deviation from the plane (largest deviation 0.061(2) Å).
- An intramolecular O-H⋯O hydrogen bond was identified, forming a six-membered (S(6)) ring motif.
- The crystal structure is primarily stabilized by van der Waals forces, with no classical intermolecular hydrogen bonding observed.
Conclusions:
- The planar structure and intramolecular hydrogen bond significantly influence the molecular conformation of C(10)H(12)O(4).
- The absence of strong intermolecular interactions suggests a crystal lattice dominated by weaker forces.
- These structural findings are essential for understanding the compound's reactivity and potential applications.
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