Bis{4-[(2-hy-droxy-5-meth-oxy-3-nitro-benzyl-idene)amino]-phen-yl} ether
Md Azharul Arafath1, Huey Chong Kwong2, Farook Adam3
1Department of Chemistry, Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh.
Acta Crystallographica. Section E, Crystallographic Communications
|January 11, 2020
Summary
This study details the crystal structure of a C28H22N4O9 compound, revealing its unique twofold rotational symmetry and specific dihedral angles between benzene and phenol rings. Molecular interactions in the crystal lattice were also elucidated.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- Crystal engineering utilizes intermolecular forces to design materials with desired characteristics.
Purpose of the Study:
- To elucidate the crystal structure and molecular geometry of the title compound (C28H22N4O9).
- To investigate the intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular structure.
- Analysis of crystallographic data revealed symmetry elements and bond parameters.
- Hydrogen bonding and twinning characteristics were identified.
Main Results:
- The molecule exhibits crystallographically imposed twofold rotational symmetry.
- Key dihedral angles between aromatic rings were measured: 66.0° (central benzene rings) and 4.9° (central benzene and terminal phenol rings).
- Intramolecular O-H⋯N hydrogen bonds and intermolecular C-H⋯O hydrogen bonds forming layered structures were observed. The crystal was refined as a two-component pseudomerohedral twin.
Conclusions:
- The crystal structure provides detailed insights into the conformational preferences of the molecule.
- The observed hydrogen bonding network dictates the supramolecular architecture in the solid state.
- The presence of twinning offers opportunities for further crystallographic investigation.
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