12,15-Dimethyl-8-oxa-tetra-cyclo-[8.8.0.0^2,7.0^11,16]octa-deca-1(18),2,4,6,11(16),12,14-heptaen-10-ol

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Crystallographic studies provide precise details of molecular geometry and intermolecular interactions in the solid state.

Purpose of the Study:

• To elucidate the detailed molecular structure and crystal packing of the title compound (C19H18O2).
• To analyze the conformation of the pyran ring and the planarity of the fused ring system.
• To identify and describe the intermolecular interactions present in the crystalline state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided geometric information.
• Identification of hydrogen bonding networks and their role in crystal packing.

Main Results:

• The pyran ring adopts a half-chair conformation.
• The fused benzene and cyclo-hexene ring system is nearly planar, with a root-mean-square deviation of 0.053 Å.
• A dihedral angle of 27.95(6)° was observed between the fused ring system and the other benzene ring.
• O-H⋯O hydrogen bonds link molecules into chains along the [001] crystallographic direction.

Conclusions:

• The crystal structure of C19H18O2 is characterized by specific ring conformations and planarity within fused systems.
• Intermolecular hydrogen bonding plays a significant role in organizing the molecules within the crystal lattice.
• The detailed structural information provides a foundation for further studies on the compound's chemical and physical properties.