DL-3-aminoisobutyric acid monohydrate

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding molecular interactions is crucial for materials science.
• Zwitterionic compounds exhibit unique chemical properties.
• Hydrogen bonding significantly influences crystal structures and material properties.

Purpose of the Study:

• To elucidate the crystal structure of 3-amino-2-methylpropanoic acid monohydrate.
• To characterize the hydrogen bonding network in the zwitterionic form.
• To analyze the topological features of the hydrogen bonding patterns.

Main Methods:

• Single crystal X-ray diffraction analysis.
• Determination of crystallographic space group (Pbca).
• Analysis of intermolecular hydrogen bond distances and angles.

Main Results:

• 3-amino-2-methylpropanoic acid monohydrate crystallizes in a centrosymmetric space group Pbca in zwitterionic form.
• Ordered N-H...O and O-H...O hydrogen bonds were identified with specific distances and angles.
• The structure features two subsets of molecules linked by hydrogen bonds, with finite and chain patterns dominating.

Conclusions:

• The crystal structure is stabilized by a network of ordered intermolecular hydrogen bonds.
• The hydrogen bonding topology includes finite, chain, and a single ring pattern.
• This detailed structural information is vital for understanding the compound's physical and chemical behavior.