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Tramadolium picrate.

B P Siddaraju, Grzegorz Dutkiewicz, H S Yathirajan

Acta Crystallographica. Section E, Structure Reports Online

|March 14, 2012

Summary

This summary is machine-generated.

This study details the crystal structure of a novel salt, revealing a protonated nitrogen atom and a chair conformation of the cyclohexane ring. Hydrogen bonds form supramolecular chains, offering insights into molecular assembly.

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Area of Science:

Crystallography
Organic Chemistry
Supramolecular Chemistry

Background:

Understanding the three-dimensional structure of organic salts is crucial for predicting their physical and chemical properties.
The specific interactions and conformations within crystal lattices dictate material behavior.

Purpose of the Study:

To elucidate the crystal structure of the title salt, [2-hydroxy-3-(3-methoxyphenyl)cyclohexyl-methyl]dimethyl-azanium 2,4,6-trinitrophenolate.
To characterize the molecular conformation and intermolecular interactions within the crystal.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of hydrogen bonding networks and conformational analysis of the cyclohexane ring.

Main Results:

The cation features a protonated nitrogen atom and a cyclohexane ring in a chair conformation.
The hydroxy substituent is in an axial position.
O-H⋯O and N-H⋯O hydrogen bonds were identified, linking cations and anions into supramolecular chains along the [100] direction.

Conclusions:

The crystal structure provides a detailed understanding of the solid-state arrangement of this organic salt.
The identified hydrogen bonding patterns are key to the formation of supramolecular chains, influencing the material's properties.