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Synthesis and Evaluation of a Ruthenium-based Mitochondrial Calcium Uptake Inhibitor

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Creatininium hydrogen maleate.

A Jahubar Ali, S Athimoolam, S Asath Bahadur

Acta Crystallographica. Section E, Structure Reports Online

|January 6, 2012

Summary

This study details the crystal structure of a compound, revealing how ions form hydrogen-bonded networks. These networks create specific ring motifs, influencing the overall crystal packing and intermolecular interactions.

Area of Science:

Crystal Chemistry
Supramolecular Chemistry
Hydrogen Bonding

Background:

Understanding the self-assembly of ionic compounds is crucial in crystal engineering.
Hydrogen bonds play a significant role in directing the formation of specific supramolecular architectures.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(4)H(8)N(3)O(+)·C(4)H(3)O(4) (-).
To analyze the hydrogen bonding interactions and resulting supramolecular motifs.

Main Methods:

Single-crystal X-ray diffraction analysis.
Analysis of intermolecular and intramolecular hydrogen bonding networks.
Identification of ring motifs (e.g., R(2)(2)(8), R(6)(6)(16), S(7)).

Main Results:

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The compound forms ionic pairs linked by N-H⋯O hydrogen bonds, forming an R(2)(2)(8) ring motif.
These ionic pairs aggregate into larger structures with an R(6)(6)(16) motif around inversion centers.
Weak van der Waals interactions further stabilize the crystal lattice.
Anions exhibit intramolecular O-H⋯O hydrogen bonds, forming an S(7) ring motif.

Conclusions:

The crystal structure is dictated by a combination of ionic interactions, N-H⋯O hydrogen bonds, and van der Waals forces.
Specific hydrogen bonding patterns lead to the formation of well-defined supramolecular ring motifs.
The observed motifs contribute to the overall packing and stability of the crystal structure.