n-Butyl 2-(2,4-dichloro-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-enecarbo-dithio-ate
Summary
The cyclo-hexene ring in C(19)H(23)Cl(2)NOS(2) adopts an envelope conformation. Molecular structure is stabilized by an internal N-H⋯S hydrogen bond.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding molecular conformation is crucial in chemistry.
- Cyclo-hexene derivatives are common motifs in organic compounds.
- Detailed structural analysis provides insights into chemical properties.
Purpose of the Study:
- To determine the three-dimensional structure of the title compound C(19)H(23)Cl(2)NOS(2).
- To analyze the specific conformation of the cyclo-hexene ring.
- To identify stabilizing interactions within the molecule.
Main Methods:
- Single-crystal X-ray diffraction was used to analyze the molecular structure.
- Analysis of atomic coordinates and bond lengths/angles.
- Identification of intramolecular interactions.
Main Results:
- The cyclo-hexene ring adopts an envelope conformation.
- The carbon atom with two methyl groups acts as the flap of the envelope.
- An intramolecular N-H⋯S hydrogen bond was identified, stabilizing the conformation.
Conclusions:
- The study elucidates the specific molecular conformation of C(19)H(23)Cl(2)NOS(2).
- The envelope conformation of the cyclo-hexene ring is confirmed.
- Intramolecular hydrogen bonding plays a significant role in stabilizing the observed structure.
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