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Synthesis of Antiviral Tetrahydrocarbazole Derivatives by Photochemical and Acid-catalyzed C-H Functionalization via Intermediate Peroxides (CHIPS)
Published on: June 20, 2014
4-But-oxy-N'-[1-(4-methyl-phen-yl)ethyl-idene]benzohydrazide
Acta Crystallographica. Section E, Structure Reports Online
|September 13, 2012
Summary
This study details the crystal structure of a C(20)H(24)N(2)O(2) molecule, revealing its trans conformation and specific dihedral angles. Molecular interactions like hydrogen bonds were observed, forming crystal chains.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
- The specific compound C(20)H(24)N(2)O(2) presents an interesting case for structural analysis.
Purpose of the Study:
- To elucidate the solid-state structure of the title compound C(20)H(24)N(2)O(2).
- To characterize the molecular conformation 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, dihedral angles, and intermolecular interactions (hydrogen bonds, van der Waals forces).
Main Results:
- The molecule adopts a trans conformation around the C=N bond.
- A significant dihedral angle of 79.0(1)° was measured between the two benzene rings.
- N-H⋯O hydrogen bonds were identified, leading to the formation of one-dimensional chains propagating along the [001] direction.
- Two instances of weak C-H⋯O interactions were also observed.
Conclusions:
- The crystal structure of C(20)H(24)N(2)O(2) is characterized by a trans conformation and specific benzene ring orientation.
- Intermolecular hydrogen bonding dictates the formation of extended chain structures in the solid state.
- The findings contribute to the understanding of structure-property relationships in organic crystalline materials.
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