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2,2'-(Decane-1,10-di-yl)dibenz-imid-azo-lium dichloride trihydrate
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study describes the crystal structure of a novel organic compound, detailing how its components form a stable three-dimensional framework through various hydrogen bonds and molecular interactions.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding the self-assembly of organic molecules is crucial for designing new materials.
- Crystal engineering relies on predicting and controlling intermolecular interactions.
- The title compound represents a new molecular architecture for study.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(24)H(32)N(4)·2Cl(-)·3H(2)O.
- To investigate the intermolecular interactions stabilizing the crystal lattice.
- To characterize the three-dimensional framework formed by the compound.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding (N-H···O, N-H···Cl, O-H···O, O-H···Cl) and C-H···π interactions was performed.
- The spatial arrangement of organic cations, chloride anions, and water molecules was examined.
Main Results:
- The organic cation, C(24)H(32)N(4)(2+), was found to be located on an inversion center.
- A robust three-dimensional framework was successfully formed through extensive hydrogen bonding networks.
- The crystal structure reveals a specific arrangement of cations, anions, and water molecules.
Conclusions:
- The title compound exhibits a well-defined crystal structure stabilized by a combination of hydrogen bonds and C-H···π interactions.
- The observed supramolecular architecture provides insights into the packing principles of similar organic salts.
- This structural characterization contributes to the broader understanding of crystal engineering and molecular assembly.
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