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4-Meth-oxy-anilinium hexa-fluoro-phosphate monohydrate.

Yong-le Yang1, Xue-Qun Fu

  • 1Ordered Matter Science Research Center, Southeast University, Nanjing 210096, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|May 19, 2011
PubMed
Summary

This study reveals the crystal structure of a protonated 4-methoxy-anilinium compound. Water molecules bridge cations and anions through hydrogen bonds, forming zigzag chains in the crystal packing.

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Area of Science:

  • Crystallography
  • Supramolecular Chemistry
  • Materials Science

Background:

  • Understanding the self-assembly of organic salts is crucial for designing new materials.
  • Hydrogen bonding and other non-covalent interactions play a key role in crystal engineering.

Purpose of the Study:

  • To elucidate the crystal structure of protonated 4-methoxy-anilinium hexafluorophosphate monohydrate.
  • To investigate the role of water molecules in the supramolecular assembly of the title compound.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed to determine the crystal structure.
  • Hydrogen bond analysis was performed to identify and characterize intermolecular interactions.

Main Results:

  • The crystal structure consists of protonated 4-methoxy-anilinium cations, hexafluorophosphate anions, and water molecules.
  • Water molecules act as linkers, forming N-H⋯O and O-H⋯F hydrogen bonds between cations and anions.
  • These interactions lead to the formation of zigzag chains extending along the c-axis.
  • C-H⋯π interactions were also observed, contributing to the overall crystal packing.

Conclusions:

  • The study provides detailed insights into the supramolecular architecture of protonated 4-methoxy-anilinium hexafluorophosphate monohydrate.
  • The findings highlight the significant role of hydrogen bonding and water molecules in directing crystal structure formation.
  • This work contributes to the understanding of crystal engineering principles for organic salts.