Bis(3,5-dimeth-oxy-phen-yl)phosphinic acid

Area of Science:

• Crystal structure analysis
• Supramolecular chemistry
• Organic chemistry

Background:

• Understanding molecular interactions is crucial for materials science.
• Crystal engineering relies on predicting and controlling intermolecular forces.
• The title compound, C(16)H(19)O(6)P, presents an interesting case for structural investigation.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(16)H(19)O(6)P.
• To identify and characterize the intermolecular interactions governing the crystal packing.
• To analyze the spatial arrangement of functional groups within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
• Analysis of hydrogen bonding (O-H⋯O) and other non-covalent interactions (C-H⋯π, π-π) was performed.
• Geometric parameters, including dihedral angles and atomic deviations from planes, were calculated.

Main Results:

• Intermolecular O-H⋯O interactions link molecules into chains along the b-axis.
• These chains assemble into a 3D network via C-H⋯π and π-π interactions (centroid-centroid distance = 3.7307(29) Å).
• The dihedral angle between benzene rings is 73.5(1)°, and methoxy group atoms show minor deviations from attached ring planes.

Conclusions:

• The crystal structure of C(16)H(19)O(6)P is stabilized by a combination of hydrogen bonding and π-π stacking interactions.
• The observed packing arrangement results in a robust three-dimensional network.
• The precise positioning of methoxy groups suggests specific conformational preferences within the crystal.