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Updated: Jun 1, 2026
06:46
Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
(E)-3-[4-(Dodec-yloxy)phen-yl]-1-(2-hydroxy-phen-yl)prop-2-en-1-one
Summary
This study details the crystal structure of a C(27)H(36)O(3) compound, revealing two independent molecules with specific dihedral angles and conformations. The structure is stabilized by intramolecular hydrogen bonds and weak intermolecular interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular conformations and packing is crucial in solid-state chemistry.
- Detailed structural analysis provides insights into intermolecular forces and crystal stability.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(27)H(36)O(3).
- To analyze molecular conformations, hydrogen bonding, and packing arrangements.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of bond lengths, angles, dihedral angles, and intermolecular interactions.
Main Results:
- The asymmetric unit contains two independent molecules of C(27)H(36)O(3).
- Aromatic rings exhibit dihedral angles of approximately 17-18 degrees.
- Enone groups are in s-cis conformation, and alkoxyl chains are in trans conformations.
- Intramolecular O-H⋯O hydrogen bonds form S(6) ring motifs.
- Molecules are stacked head-to-tail along the a-axis, stabilized by C-H⋯π interactions.
- The crystal was identified as a non-merohedral twin.
Conclusions:
- The study provides a comprehensive structural characterization of C(27)H(36)O(3).
- The observed conformations and intermolecular interactions dictate the crystal packing and stability.
- The presence of a non-merohedral twin provides additional crystallographic data.
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