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Bis(cyclo-hexyl-ammonium) terephthalate.

Meng Ting Han¹

¹Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, People's Republic of China.

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Summary

This study analyzes a molecular salt composed of cyclohexylammonium cations and terephthalate anions. Hydrogen bonds link these components into sheets, revealing the crystal structure and bonding interactions.

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Area of Science:

Crystallography
Materials Science
Supramolecular Chemistry

Background:

Molecular salts are formed by the electrostatic interaction between cations and anions.
Understanding crystal structures provides insights into material properties and chemical bonding.
Terephthalate is an organic dianion derived from terephthalic acid, commonly used in polymer synthesis.

Purpose of the Study:

To determine the crystal structure of the molecular salt formed by cyclohexylammonium and terephthalate.
To analyze the bonding interactions, specifically hydrogen bonding, within the crystal lattice.
To investigate the planarity of the terephthalate dianion in the solid state.

Main Methods:

Single-crystal X-ray diffraction was used to determine the molecular and crystal structure.
Analysis of hydrogen bonding networks through crystallographic data.
Calculation of root-mean-square deviation to assess the planarity of the terephthalate dianion.

Main Results:

The molecular salt crystallizes with the formula 2C(6)H(11)NH(3)(+)·C(8)H(4)O(4)(2-).
The terephthalate dianion exhibits near-planarity with a root-mean-square deviation of 0.049 Å.
Cations and anions are organized into (010) sheets via N-H⋯O hydrogen bonds.

Conclusions:

The crystal structure reveals a well-defined arrangement of cyclohexylammonium cations and terephthalate anions.
Hydrogen bonding plays a crucial role in stabilizing the observed sheet structure.
The near-planar geometry of the terephthalate dianion is maintained within this crystalline environment.