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Optimized Procedure for Determining the Adsorption of Phosphonates onto Granular Ferric Hydroxide using a Miniaturized Phosphorus Determination Method

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Codeine dihydrogen phosphate hemihydrate.

Christoph Langes¹, Thomas Gelbrich, Ulrich J Griesser

¹Institut für Pharmazie, Universität Innsbruck, Innrain 52, 6020 Innsbruck, Austria.

Acta Crystallographica. Section C, Crystal Structure Communications

|August 5, 2009

Summary

This summary is machine-generated.

This study reveals the complex hydrogen-bonded framework of codeine phosphate hemihydrate. Water molecules are integral, forming a stable, three-dimensional structure with codeine cations and phosphate anions.

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Optimized Procedure for Determining the Adsorption of Phosphonates onto Granular Ferric Hydroxide using a Miniaturized Phosphorus Determination Method

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Nucleoside Triphosphates - From Synthesis to Biochemical Characterization

Nucleoside Triphosphates - From Synthesis to Biochemical Characterization

Published on: April 3, 2014

Area of Science:

Crystallography
Chemical Physics
Structural Chemistry

Background:

Codeine is an opiate used as an analgesic and antitussive.
Understanding the solid-state structure of codeine salts is crucial for pharmaceutical development.
Phosphate salts of alkaloids can exhibit unique crystal packing and hydrogen-bonding characteristics.

Purpose of the Study:

To elucidate the crystal structure of codeine dihydrogen phosphate hemihydrate.
To characterize the hydrogen bonding network within the crystal lattice.
To investigate the role of water molecules in the structural stability.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
Analysis of hydrogen bond donors and acceptors was performed.
Intermolecular interactions, including hydrogen bonds and water bridging, were identified.

Main Results:

The codeine cation exhibits a T-shaped conformation.
Dihydrogen phosphate anions form extended ribbon chains via O-H...O hydrogen bonds.
Codeine cations form zigzag chains linked by O-H...O hydrogen bonds.
N-H...O bonds connect codeine cations and phosphate anions.
Water molecules act as bridging units, connecting different hydrogen-bonded networks.
The asymmetric unit comprises two codeine cations, two dihydrogen phosphate anions, and one water molecule.
A complex three-dimensional hydrogen-bonded framework is established, with water molecules firmly integrated.

Conclusions:

Codeine dihydrogen phosphate hemihydrate forms an intricate, water-stabilized three-dimensional hydrogen-bonded network.
The crystal structure highlights the significant role of intermolecular forces in organizing pharmaceutical compounds.
This detailed structural information can inform the design of codeine-based formulations with improved stability and bioavailability.