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06:46
Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(4-fluoro-phen-yl)ethyl-idene]hydrazine
Acta Crystallographica. Section E, Structure Reports Online
|February 21, 2012
Summary
This study details the crystal structure of a novel fluorinated organic compound. Molecular interactions and hydrogen bonding were analyzed, revealing specific intermolecular forces that influence crystal packing and sheet formation.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the crystal structure of novel organic compounds is crucial for predicting their physical and chemical properties.
- Intermolecular interactions, such as hydrogen bonding and van der Waals forces, dictate crystal packing and material behavior.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(11)FN(4)O(4).
- To analyze the molecular arrangement, including planarity, dihedral angles, and hydrogen bonding within the crystal lattice.
- To investigate the intermolecular interactions responsible for crystal packing and the formation of sheet structures.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of crystallographic data included assessing molecular planarity, dihedral angles between aromatic rings, and intramolecular hydrogen bonding.
- Intermolecular interactions, such as C-H···O and C-H···F contacts, were identified and characterized.
Main Results:
- The title compound, C(14)H(11)FN(4)O(4), crystallizes with two molecules in the asymmetric unit, both exhibiting near-planar conformations.
- Intramolecular N-H···O hydrogen bonds form stable S(6) rings within each molecule.
- Weak C-H···O and C-H···F interactions link the molecules into extended sheets parallel to the (120) plane, with additional short O···C and O···N contacts observed.
Conclusions:
- The crystal structure of C(14)H(11)FN(4)O(4) is characterized by planar molecular units and specific hydrogen bonding patterns.
- Intermolecular C-H···O and C-H···F interactions are key in organizing the molecules into layered sheet structures.
- The detailed crystallographic analysis provides fundamental insights into the solid-state behavior of this fluorinated organic compound.
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