5,7-Dimeth-oxy-2-phenyl-4H-chromen-4-one

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular structure and interactions is crucial in organic chemistry.
• Chromene derivatives exhibit diverse biological and material properties.
• Crystal structure analysis provides fundamental insights into molecular arrangement and stability.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(17)H(14)O(4).
• To analyze the molecular conformations and relative orientations of independent molecules within the asymmetric unit.
• To identify and describe the intermolecular interactions stabilizing the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of bond lengths, bond angles, and dihedral angles characterized molecular geometry.
• Non-covalent interaction analysis identified stabilizing forces such as C-H···O, C-H···π, and π-π stacking.

Main Results:

• The asymmetric unit contains two independent molecules of C(17)H(14)O(4).
• These molecules exhibit variations in the dihedral angles between the phenyl rings and the chromene system (10.3(5)° and 30.86(5)°).
• The crystal structure is stabilized by a network of weak C-H···O, C-H···π, and π-π stacking interactions.

Conclusions:

• The study provides a detailed structural characterization of the C(17)H(14)O(4) compound.
• The observed conformational differences highlight molecular flexibility within the crystal packing.
• The identified intermolecular interactions are key to the stability of the crystal structure.