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(E)-4-Meth-oxy-N'-(3,4,5-trimeth-oxy-benzyl-idene)benzohydrazide
Acta Crystallographica. Section E, Structure Reports Online
|March 14, 2012
Summary
This study details the crystal structure of C(18)H(20)N(2)O(5), revealing two distinct molecular conformations. The compound exhibits varied benzene ring twists and methoxy group orientations, influencing its crystal packing via hydrogen bonds.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular conformation and crystal packing is crucial for predicting material properties.
- The title compound, C(18)H(20)N(2)O(5), presents an interesting case for structural analysis due to its functional groups.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(18)H(20)N(2)O(5).
- To analyze the conformational variations and intermolecular interactions within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and torsion angles provided insights into molecular geometry.
- Identification of hydrogen bonds and other non-covalent interactions informed the crystal packing analysis.
Main Results:
- The asymmetric unit contains two crystallographically independent molecules of C(18)H(20)N(2)O(5).
- Significant conformational differences were observed, including varied dihedral angles between benzene rings (7.2° vs. 85.9°) and distinct orientations of methoxy groups.
- Intermolecular interactions, such as N-H⋯O hydrogen bonds and C-H⋯O/π interactions, organize the molecules into tapes along the b axis.
Conclusions:
- The crystal structure of C(18)H(20)N(2)O(5) is characterized by conformational polymorphism.
- The observed intermolecular interactions dictate the supramolecular assembly in the solid state.
- This detailed structural analysis provides a foundation for further studies on the compound's physical and chemical properties.
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