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Updated: Jun 1, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
Triethyl-ammonium 4-nitro-benzene-sulfonate
Summary
This study details the crystal structure of a molecular salt, revealing a nitro group twisted from the benzene ring. Cations and anions form a 2D network via hydrogen bonds in the solid state.
Area of Science:
- Crystallography
- Molecular structure analysis
- Supramolecular chemistry
Background:
- Understanding molecular interactions is crucial in materials science.
- Crystal engineering relies on predicting and controlling intermolecular forces.
- Hydrogen bonding plays a significant role in the self-assembly of molecular structures.
Purpose of the Study:
- To elucidate the crystal structure of the molecular salt C(6)H(16)N(+)·C(6)H(4)O(5)S(-).
- To analyze the molecular conformation and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational details.
- Intermolecular interactions, specifically hydrogen bonds, were identified and characterized.
Main Results:
- The crystal structure revealed a two-dimensional network formed by the molecular salt.
- A dihedral angle of 3.16(10)° was measured between the nitro group and the benzene ring in the anion.
- C-H⋯O and N-H⋯O hydrogen bonds were identified as the primary forces organizing the crystal structure.
Conclusions:
- The study provides detailed structural insights into the molecular salt.
- The observed hydrogen bonding network explains the formation of the 2D supramolecular architecture.
- This structural information can guide the design of new materials with tailored properties.
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