Bis(4-meth-oxy-benzyl-ammonium) dihydrogen diphosphate

Area of Science:

• Crystallography
• Inorganic Chemistry
• Supramolecular Chemistry

Background:

• Diphosphate anions are important in various chemical and biological systems.
• Understanding crystal structures reveals intermolecular forces and packing arrangements.
• Organic cations can influence the assembly of inorganic anions in crystal lattices.

Purpose of the Study:

• To characterize the crystal structure of the 4-methoxy-benzyl-ammonium diphosphate compound.
• To investigate the hydrogen bonding and intermolecular interactions present.
• To elucidate the self-assembly mechanisms within the crystal structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, angles, and intermolecular contacts was performed.
• Hydrogen bonding networks and other non-covalent interactions were identified.

Main Results:

• The crystal structure reveals nearly eclipsed PO(4) groups in the diphosphate anion with a P-O-P angle of 134.45(7)°.
• Infinite ribbons of diphosphate anions propagate along the [100] direction, stabilized by O-H⋯O hydrogen bonds.
• 4-methoxy-benzyl-ammonium cations link the diphosphate chains via N-H⋯O and C-H⋯O interactions, and engage in C-H⋯π interactions.

Conclusions:

• The study provides a detailed structural analysis of a novel organic-inorganic hybrid compound.
• The observed hydrogen bonding and C-H⋯π interactions are key to the crystal's architecture.
• This work contributes to the understanding of supramolecular assembly in diphosphate-based materials.