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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)-2-(2-Nitro-prop-1-en-yl)furan
Summary
Crystals of C(7)H(7)NO(3) sublime at room temperature but were analyzed at 100K. The study reveals E-isomer crystallization and molecular associations via N⋯π and C-H⋯O interactions.
Area of Science:
- Crystallography
- Organic Chemistry
- Solid-State Chemistry
Background:
- The title compound, C(7)H(7)NO(3), exhibits interesting electronic properties due to its conjugated system.
- Understanding the solid-state structure and intermolecular interactions is crucial for predicting material properties.
Purpose of the Study:
- To determine the crystal structure of C(7)H(7)NO(3).
- To investigate the molecular arrangement and intermolecular interactions in the crystalline state.
- To characterize the compound's behavior under different temperature conditions.
Main Methods:
- Single-crystal X-ray diffraction using Mo Kα radiation.
- Data collection at low temperature (100K) to mitigate sublimation.
- Analysis of crystallographic data to determine molecular geometry and packing.
Main Results:
- C(7)H(7)NO(3) readily sublimes at room temperature, necessitating low-temperature data collection.
- The compound crystallizes exclusively as the E isomer.
- Extended π-conjugation is observed from the furan ring to the nitro-alkenyl group.
- Significant intermolecular interactions, including N⋯π and C-H⋯O hydrogen bonds, stabilize the crystal lattice.
Conclusions:
- The crystal structure of C(7)H(7)NO(3) has been elucidated, revealing the E isomer and specific intermolecular interactions.
- The observed N⋯π and C-H⋯O interactions play a key role in the molecular assembly and crystal stability.
- The compound's propensity to sublime highlights the importance of controlled conditions for its study.
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