(1E,4E)-1,5-Bis(2,4,6-trimeth-oxy-phen-yl)penta-1,4-dien-3-one

Area of Science:

• Crystallography and Molecular Structure
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Bis-chalcone derivatives are organic compounds with potential applications in various fields.
• Understanding the solid-state structure is crucial for predicting material properties and reactivity.
• Previous studies on related compounds highlight the importance of molecular conformation and intermolecular interactions.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title bis-chalcone derivative, C(23)H(26)O(7).
• To analyze the molecular conformation, including planarity and dihedral angles.
• To investigate the role of intra- and intermolecular interactions in stabilizing the crystal structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and torsion angles to describe molecular geometry.
• Identification and analysis of non-covalent interactions, such as C-H⋯O, C-H⋯π, and π-π stacking.

Main Results:

• Two independent, nearly planar molecules were observed in the asymmetric unit.
• Intramolecular C-H⋯O interactions stabilize the molecular conformation, forming S(6) ring motifs.
• Intermolecular C-H⋯O interactions link molecules into zigzag chains, further stabilized by C-H⋯π and π-π interactions.

Conclusions:

• The crystal structure of the bis-chalcone derivative is characterized by specific molecular conformations and extensive intermolecular interactions.
• The observed weak interactions play a significant role in the self-assembly and stabilization of the crystal lattice.
• This structural information provides a foundation for further research into the properties and potential applications of this compound.