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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-4,5-dimeth-oxy-phen-yl)ethanone
Stefania M Scalzullo1, Sanaz Khorasani, Joseph P Michael
1Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, PO Wits 2050, Johannesburg, South Africa.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
This study reveals the molecular structure of C10H12O4, highlighting an intramolecular hydrogen bond. Crystal analysis shows C-H⋯π and C-H⋯O interactions stabilize molecular stacking.
Area of Science:
- Crystallography
- Molecular Structure Analysis
- Supramolecular Chemistry
Background:
- Understanding intermolecular forces is crucial for predicting material properties.
- Hydrogen bonding and van der Waals forces play significant roles in crystal packing.
- The title compound, C10H12O4, presents an interesting case for structural investigation.
Purpose of the Study:
- To elucidate the detailed molecular and crystal structure of C10H12O4.
- To identify and characterize the non-covalent interactions governing crystal assembly.
- To provide insights into structure-property relationships based on molecular arrangement.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions, including hydrogen bonds and C-H⋯π interactions.
- Computational methods may be used for further analysis of interaction energies (if applicable).
Main Results:
- The molecular structure of C10H12O4 features an intramolecular hydrogen bond between phenol and acetyl groups.
- Crystal packing is stabilized by cyclic C-H⋯π interactions between molecules along the b axis.
- Additional C-H⋯O interactions are observed between molecular stacks, contributing to overall crystal stability.
Conclusions:
- The crystal structure of C10H12O4 is characterized by a combination of intra- and intermolecular interactions.
- These interactions, particularly C-H⋯π and C-H⋯O, dictate the observed molecular arrangement and stability.
- The findings contribute to the understanding of crystal engineering principles for organic molecules.
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