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2-(4-Isobutyl-phen-yl)-1-(morpholin-4-yl)propan-1-one
Acta Crystallographica. Section E, Structure Reports Online
|September 13, 2012
Summary
This study details the molecular structure of a novel organic compound, C(17)H(25)NO(2). The research reveals the morpholine ring
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- Morpholine derivatives are prevalent in pharmaceuticals and materials science, necessitating detailed structural analysis.
Purpose of the Study:
- To elucidate the precise molecular geometry and conformation of the title compound, C(17)H(25)NO(2).
- To provide crystallographic data that can inform future synthetic efforts and applications of related morpholine-containing structures.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the atomic arrangement of the compound.
- The crystal structure was solved and refined to high statistical significance.
Main Results:
- The morpholine ring within the C(17)H(25)NO(2) molecule adopts a stable chair conformation.
- A dihedral angle of 39.81(13)° was measured between the benzene ring and the basal plane of the morpholine moiety.
- Detailed bond lengths, bond angles, and intermolecular interactions were characterized.
Conclusions:
- The determined chair conformation of the morpholine ring is a key structural feature of C(17)H(25)NO(2).
- The observed spatial relationship between the aromatic and heterocyclic rings provides insights into the molecule's overall shape and potential interactions.
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