4-[(2-Carb-oxy-eth-yl)amino]-benzoic acid monohydrate

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the crystal packing and intermolecular interactions of organic molecules is crucial for designing materials with specific properties.
• Hydrogen bonding plays a significant role in dictating the three-dimensional architecture of crystalline solids.

Purpose of the Study:

• To elucidate the crystal structure and hydrogen bonding network of the title compound, C(10)H(11)NO(4)·H(2)O.
• To investigate the self-assembly behavior of the organic molecule and its interaction with water molecules in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding interactions (O-H⋯O, N-H⋯O) was performed to understand the supramolecular assembly.

Main Results:

• The carboxyl group exhibits a dihedral angle of 6.1(3)° with respect to the benzene ring.
• Organic molecules form zigzag chains along the b-axis via O-H⋯O hydrogen bonds between carboxyl groups.
• Water molecules form [100] chains, and these chains, along with organic molecules, create (001) sheets through N-H⋯O(water) and O(water)-H⋯O hydrogen bonds.

Conclusions:

• The study reveals a complex hydrogen bonding network leading to a layered structure in C(10)H(11)NO(4)·H(2)O.
• The findings provide valuable information for crystal engineering and the design of functional organic materials.