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Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
Published on: March 20, 2017
(E)-2-Methyl-5-(thiophen-2-ylmethyl-idene)cyclopentan-1-one
Acta Crystallographica. Section E, Structure Reports Online
|November 8, 2011
Summary
The study details the E configuration of a C=C double-bond in a C(11)H(12)OS compound. A methyl-bearing carbon atom in the cyclopentane ring exhibits positional disorder.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- The title compound, C(11)H(12)OS, is a molecule of interest for structural analysis.
- Understanding the precise arrangement of atoms and their configurations is crucial in organic chemistry.
Purpose of the Study:
- To determine the stereochemical configuration of the exocyclic double-bond.
- To investigate the structural characteristics, including any disorder, within the cyclopentane ring.
Main Methods:
- X-ray crystallography was employed to analyze the crystal structure of C(11)H(12)OS.
- Detailed structural analysis was performed to ascertain bond configurations and atomic positions.
Main Results:
- The exocyclic carbon-carbon double-bond (C=C) was confirmed to have an E configuration.
- Positional disorder was observed for the methyl-bearing carbon atom in the cyclopentane ring, with a major site occupation factor of 0.899(8).
Conclusions:
- The study provides definitive structural information regarding the C(11)H(12)OS compound.
- The identified E configuration and ring disorder contribute to the understanding of molecular structure and potential reactivity.
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