Hydroxonium 1-ammonio-ethane-1,1-diyl-diphospho-nate

Area of Science:

• Crystal engineering
• Supramolecular chemistry
• Inorganic chemistry

Background:

• Understanding the structural properties of ionic complexes is crucial for materials science.
• Hydrogen bonding plays a significant role in the self-assembly of molecular structures.
• Positional disorder of ions can influence the overall network architecture.

Purpose of the Study:

• To characterize the crystal structure of the title complex, H(3)O(+)·NH(3)C(CH(3))(PO(3)H)(2) (-).
• To investigate the hydrogen bonding interactions within the crystal lattice.
• To analyze the distribution and behavior of hydrogen atoms in the hydroxonium ion.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of interatomic distances and angles elucidated the hydrogen bonding network.
• Occupational factors were used to describe the positional disorder of hydrogen atoms.

Main Results:

• The crystal structure consists of a hydroxonium (H(3)O(+)) ion and an NH(3)C(CH(3))(PO(3)H)(2) (-) anion.
• The three hydrogen atoms of the hydroxonium ion are disordered over four positions with an occupation factor of 0.75, forming a pseudo-tetrahedral arrangement.
• Extensive N-H⋯O and O-H⋯O hydrogen bonds create a complex three-dimensional supramolecular network.

Conclusions:

• The study provides detailed structural insights into the title ionic complex.
• The observed hydrogen bonding network highlights the importance of non-covalent interactions in stabilizing the crystal structure.
• The positional disorder of the hydroxonium ion's hydrogen atoms is a key structural feature influencing the supramolecular assembly.