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Updated: Jun 1, 2026
06:46
Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
(E)-Ethyl N'-[1-(4-methoxy-phen-yl)ethyl-idene]hydrazinecarboxyl-ate
Summary
This study details the crystal structure of a C(12)H(16)N(2)O(3) compound, revealing a trans configuration around the C=N bond. Molecules form dimers via hydrogen bonds and are further organized by C-H⋯π interactions in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the solid-state behavior of organic molecules is crucial for materials science.
- The specific compound C(12)H(16)N(2)O(3) has potential applications requiring knowledge of its crystal packing.
- Hydrogen bonding and π-π interactions are key non-covalent forces dictating crystal structures.
Purpose of the Study:
- To elucidate the molecular and crystal structure of the title compound C(12)H(16)N(2)O(3).
- To investigate the intermolecular interactions governing the self-assembly of the molecules in the crystal lattice.
- To characterize the stereochemistry and conformation of the molecule in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational information.
- Intermolecular interactions, including hydrogen bonds (N-H⋯O, C-H⋯O) and C-H⋯π interactions, were identified and analyzed.
Main Results:
- The molecule C(12)H(16)N(2)O(3) adopts a trans configuration about the C=N double bond.
- A dihedral angle of 13.82° was measured between the benzene ring and the hydrazinecarboxylate plane.
- Centrosymmetric dimers are formed through N-H⋯O and C-H⋯O hydrogen bonds, with dimers further linked by C-H⋯π interactions.
Conclusions:
- The crystal structure of C(12)H(16)N(2)O(3) is characterized by specific molecular conformation and intermolecular interactions.
- The identified hydrogen bonding and C-H⋯π interactions dictate the formation of dimers and the overall crystal packing.
- This structural information provides a foundation for understanding the physical properties and potential applications of the compound.
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