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Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
(E,E)-1,5-Di-2-thienylpenta-1,4-dien-3-one
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
The crystal structure of C(13)H(10)OS(2) reveals a dihedral angle of 14.3° between thiophene rings. Molecular stability is achieved through C-H⋯π and C-H⋯O interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Thiophene derivatives are important building blocks in materials science and medicinal chemistry.
- Intermolecular forces play a significant role in the solid-state packing and physical characteristics of organic compounds.
Purpose of the Study:
- To determine the precise molecular structure of the title compound, C(13)H(10)OS(2).
- To investigate the nature and contribution of non-covalent interactions to the stabilization of the crystal lattice.
- To provide a detailed crystallographic analysis of this specific thiophene derivative.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using standard crystallographic software.
- Analysis of intermolecular interactions, including C-H⋯π and C-H⋯O bonds, was performed.
Main Results:
- The crystal structure of C(13)H(10)OS(2) was successfully determined.
- A dihedral angle of 14.3(1)° was measured between the two thiophene rings.
- Intramolecular C-H⋯π interactions and intermolecular C-H⋯O hydrogen bonds were identified as key stabilizing forces.
Conclusions:
- The study provides a precise structural characterization of C(13)H(10)OS(2).
- Non-covalent interactions, specifically C-H⋯π and C-H⋯O bonds, are critical for the observed molecular conformation and crystal packing.
- This detailed structural information can inform the design of related thiophene-based materials.
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