2-Hy-droxy-4-(prop-2-yn-yloxy)benz-alde-hyde

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular structure and intermolecular interactions is crucial for predicting material properties.
• The title compound, C10H8O3, presents an interesting case for crystallographic analysis due to its functional groups.

Purpose of the Study:

• To elucidate the crystal structure of C10H8O3.
• To investigate the intramolecular and intermolecular interactions governing its solid-state arrangement.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, dihedral angles, and non-covalent interactions was performed.

Main Results:

• The asymmetric unit contains two independent, nearly planar molecules of C10H8O3.
• Intramolecular O-H⋯O hydrogen bonds form S(6) rings within each molecule.
• Crystal structure is characterized by cyclic centrosymmetric dimers formed via C-H⋯O hydrogen bonds and stabilized by π-π stacking.

Conclusions:

• The crystal structure of C10H8O3 is well-defined by intramolecular hydrogen bonding and intermolecular interactions.
• Aromatic π-π stacking plays a significant role in stabilizing the crystal lattice.