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06:46
Facile Preparation of (2Z,4E)-Dienamides by the Olefination of Electron-deficient Alkenes with Allyl Acetate
Published on: June 21, 2017
(4-Meth-oxy-phen-yl)(4-propyl-cyclo-hex-yl)methanone
Ling Wang1, Zi-Qian Chang, Jie Zhang
1Pharmacy Department of the Second Artillery General Hospital, Beijing 100088, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|March 12, 2013
Summary
This study details the crystal structure of C17H24O2, revealing two distinct molecular conformations within the asymmetric unit. These molecules exhibit unique dihedral angles and chair conformations in their cyclohexane rings, linked by hydrogen bonds in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Understanding molecular conformation is crucial in organic chemistry.
- Crystal structure analysis provides insights into intermolecular interactions.
- The compound C17H24O2's specific structural features are not widely documented.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C17H24O2.
- To characterize the conformations of the independent molecules within the asymmetric unit.
- To identify and describe the intermolecular interactions present in the crystal.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Least-squares plane analysis was used to quantify the relationship between the cyclohexane and benzene rings.
- Analysis of hydrogen bonding was performed to understand crystal packing.
Main Results:
- The asymmetric unit contains two independent molecules of C17H24O2 with differing conformations.
- Dihedral angles between the cyclohexane and benzene rings were measured as 52.9(5)° and 81.4(4)°.
- Both molecules adopt a chair conformation for the cyclohexane ring.
- Weak C-H⋯O hydrogen bonds were observed, forming two independent chains along the [100] direction.
Conclusions:
- The crystal structure of C17H24O2 is characterized by conformational isomerism within the asymmetric unit.
- The observed hydrogen bonding network influences the packing and stability of the crystal structure.
- This detailed structural analysis contributes to the understanding of structure-property relationships in organic compounds.
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