[4-(Methyl-sulfon-yl)phen-yl]acetic acid

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding molecular interactions is crucial for materials science.
• Hydrogen bonding plays a key role in crystal engineering.
• The title compound, C(9)H(10)O(4)S, is a novel organic molecule.

Purpose of the Study:

• To elucidate the crystal structure of the title compound.
• To identify and characterize the intermolecular interactions present.
• To understand the self-assembly behavior of the molecule in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was used to determine the crystal structure.
• Analysis of hydrogen bonding networks, including conventional and unconventional interactions.
• Visualization of the three-dimensional crystal packing.

Main Results:

• The crystal structure of C(9)H(10)O(4)S was successfully determined.
• Centrosymmetric dimers were formed through intermolecular O-H⋯O hydrogen bonds.
• Unconventional C-H⋯O hydrogen bonds were identified, linking dimers into a 3D network.

Conclusions:

• The study provides detailed insights into the hydrogen bonding patterns of C(9)H(10)O(4)S.
• The identified interactions dictate the formation of a robust three-dimensional supramolecular network.
• This structural information is valuable for predicting and designing materials with specific properties.