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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
2-[4-(Methyl-sulfon-yl)phen-yl]acetonitrile
Acta Crystallographica. Section E, Structure Reports Online
|April 28, 2011
Summary
This study details the crystal structure of a novel organic compound, C(9)H(9)NO(2)S. The research reveals a near-planar arrangement of its core components and highlights intermolecular hydrogen bonding in its solid-state structure.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the solid-state structure of organic molecules is crucial for predicting their physical and chemical properties.
- The compound C(9)H(9)NO(2)S represents a potentially interesting scaffold for further chemical exploration.
Purpose of the Study:
- To elucidate the three-dimensional crystal structure of the organic compound C(9)H(9)NO(2)S.
- To investigate the intermolecular interactions governing the packing of these molecules in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and torsion angles provided insights into the molecular geometry.
- Intermolecular interactions, specifically hydrogen bonding, were identified and analyzed.
Main Results:
- The crystal structure of C(9)H(9)NO(2)S was successfully determined.
- A near-planar conformation was observed between the benzene ring and the acetonitrile group, indicated by a small C-C-C-C torsion angle of 1.1(3)°.
- Molecules were found to form layered structures through intermolecular C-H⋯O hydrogen bonds parallel to the (001) plane.
Conclusions:
- The determined crystal structure provides a fundamental understanding of C(9)H(9)NO(2)S in the solid state.
- The observed intermolecular hydrogen bonding network dictates the layered packing, influencing bulk material properties.
- This structural information can guide future research in designing related compounds with tailored characteristics.
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