Related Experiment Video
Updated: Jun 2, 2026

Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
(E)-4-(1,3-Benzodioxol-5-yl)but-3-en-2-one
This study details the molecular structure of a benzodioxole compound, revealing a specific envelope conformation. Crystal packing analysis shows chains formed by dimers linked via hydrogen bonds, creating layered structures.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Benzodioxole derivatives are important scaffolds in medicinal chemistry and materials science.
- Understanding the conformational preferences and crystal packing of such compounds is crucial for predicting their properties and designing new molecules.
Purpose of the Study:
- To elucidate the three-dimensional molecular structure of the title compound C(11)H(10)O(3).
- To analyze the conformational behavior of the benzodioxole ring system.
- To investigate the intermolecular interactions and crystal packing arrangement.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Puckering parameters were calculated to describe the conformation of the benzodioxole ring.
Main Results:
- The benzodioxole ring adopts a flattened envelope conformation with the methylene carbon as the flap.
- Crystal packing analysis revealed chains parallel to the c axis, formed by dimers linked through weak C-H-O hydrogen bonds.
- These chains extend into layers within the bc plane.
Conclusions:
- The study provides detailed structural information on the C(11)H(10)O(3) compound.
- The observed conformation and hydrogen-bonded network offer insights into the solid-state behavior of benzodioxole derivatives.
More Related Videos
19:58Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
08:56Synthesis of a Borylated Ibuprofen Derivative Through Suzuki Cross-Coupling and Alkene Boracarboxylation Reactions
Published on: November 30, 2022
Related Concept Videos
Electrophilic 1,2- and 1,4-Addition of X2 to 1,3-Butadiene
π Molecular Orbitals of 1,3-Butadiene
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...
Benzene to 1,4-Cyclohexadiene: Birch Reduction Mechanism
Structure and Nomenclature of Epoxides
Nomenclature of Aromatic Compounds with Multiple Substituents
For disubstituted benzene derivatives, with two groups attached to the benzene ring, three constitutional isomers are possible. For example, consider dimethyl benzene, often called xylene, where the second methyl group can be substituted at the second, third, or fourth carbon. The relative position of the substituents is represented by prefixes ortho, meta, or...
Reactions at the Benzylic Position: Oxidation and Reduction