Dimethyl [hydr-oxy(2-nitro-phen-yl)meth-yl]phospho-nate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding intra-molecular interactions is crucial for predicting compound properties.
• Hydrogen bonding plays a significant role in molecular self-assembly and crystal engineering.

Purpose of the Study:

• To elucidate the specific hydrogen bonding network within the title compound, C(9)H(12)NO(6)P.
• To characterize the resulting supramolecular architecture and ring motifs in the crystal structure.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the three-dimensional structure.
• Analysis of interatomic distances and angles identified intra-molecular and inter-molecular hydrogen bonds.

Main Results:

• Intra-molecular C-H⋯O hydrogen bonds were observed, forming five- and six-membered rings.
• The crystal structure features inversion dimers stabilized by C-H⋯O hydrogen bonds, described by R(2)(2)(10) ring motifs.
• The hydroxyl group's oxygen atom acted as a hydrogen bond acceptor, while the benzene ring acted as a donor.

Conclusions:

• The identified hydrogen bonding patterns dictate the compound's crystal packing and supramolecular assembly.
• The study provides insights into the role of weak C-H⋯O interactions in stabilizing crystal structures.