2-Meth-oxy-anilinium 3-hy-droxy-2,4,6-trinitro-phenolate

Area of Science:

• Crystal engineering
• Supramolecular chemistry
• Molecular interactions

Background:

• Understanding the self-assembly of molecular salts is crucial for designing new materials.
• Hydrogen bonding plays a key role in directing crystal packing and supramolecular architecture.
• The specific interactions within ionic compounds dictate their bulk properties.

Purpose of the Study:

• To elucidate the crystal structure of the molecular salt C(7)H(10)NO(+)·C(6)H(2)N(3)O(8)(-).
• To investigate the hydrogen bonding network, including intra- and inter-molecular interactions.
• To characterize the supramolecular assembly formed by the anions in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding geometries (N-H⋯O and O-H⋯O) was performed.
• Topological analysis of the supramolecular architecture was conducted.

Main Results:

• The crystal structure reveals the presence of both cation (C(7)H(10)NO(+)) and anion (C(6)H(2)N(3)O(8)(-)).
• An N-H⋯O hydrogen bond links the cation and anion.
• The anion exhibits an intramolecular O-H⋯O hydrogen bond and self-assembles via intermolecular O-H⋯O hydrogen bonds to form a C(9) supramolecular chain along the b-axis.

Conclusions:

• The study successfully characterized the crystal structure and hydrogen bonding of the molecular salt.
• The observed hydrogen bonding patterns dictate the formation of a C(9) supramolecular chain in the crystal.
• This work contributes to the understanding of crystal engineering principles in molecular salts.