1-(5-Acetyl-2-hy-droxy-phen-yl)ethanone

Area of Science:

• Crystallography
• Molecular structure analysis
• Organic chemistry

Background:

• Understanding molecular interactions is crucial for predicting material properties.
• Intramolecular hydrogen bonding influences molecular conformation and reactivity.
• Crystal structure determination provides insights into intermolecular forces.

Purpose of the Study:

• To elucidate the crystal structure of C(10)H(10)O(3).
• To identify and characterize hydrogen bonding and other intermolecular interactions.
• To understand the factors contributing to crystal stabilization.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, angles, and non-bonded contacts.
• Identification of hydrogen bonding networks and pi-pi stacking interactions.

Main Results:

• The crystal structure of C(10)H(10)O(3) was successfully determined.
• Classical intramolecular hydrogen bonding was observed.
• The hydroxy group exhibits disorder, occupying two positions with 77% and 23% occupancy.
• Crystal stabilization is attributed to pi-pi interactions (3.5986 Å) and weak C-H⋯O interactions (3.2797 Å).

Conclusions:

• The crystal packing of C(10)H(10)O(3) is significantly influenced by intramolecular hydrogen bonding.
• The observed disorder in the hydroxy group provides insights into molecular flexibility.
• Pi-pi stacking and C-H⋯O interactions play a key role in stabilizing the crystal lattice.