2,4-Dimethylbenzaldehyde isonicotinoylhydrazone trihydrate: a three-dimensional hydrogen-bonded framework structure
John N Low1, Solange M S V Wardell, Marcus V N de Souza
1Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen AB24 3UE, Scotland.
Summary
This study details the crystal structure of a nitrogen-containing compound, C(15)H(15)N(3)Ox3H(2)O. It highlights the disordered water molecules and the three-dimensional framework formed by hydrogen bonds.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Materials Science
Background:
- Understanding the crystal structure of organic compounds is crucial for predicting their properties.
- Hydrogen bonding plays a significant role in the self-assembly of molecular structures.
- The presence and behavior of solvent molecules, like water, can influence crystal packing and stability.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(15)H(15)N(3)Ox3H(2)O.
- To investigate the role of water molecules in the crystal lattice.
- To characterize the hydrogen bonding network within the three-dimensional framework.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions, including hydrogen bonds, was performed.
- Disorder in solvent molecules was modeled and analyzed.
Main Results:
- The crystal structure of C(15)H(15)N(3)Ox3H(2)O was successfully determined.
- Two of the three water molecules in the asymmetric unit exhibit positional disorder.
- A complex three-dimensional framework is formed through N-H...O, O-H...N, and O-H...O hydrogen bonds.
Conclusions:
- The crystal structure reveals intricate hydrogen bonding interactions that stabilize the molecular framework.
- The observed disorder in water molecules suggests dynamic behavior within the crystal lattice.
- This structural information provides insights into the supramolecular assembly of this nitrogen-containing compound.
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