2-Hy-droxy-2-methyl-1-phenyl-indolin-3-one
Acta Crystallographica. Section E, Structure Reports Online
|December 27, 2011
Summary
The crystal structure of C(15)H(13)NO(2) reveals a 60.61° dihedral angle between its indole and benzene rings. These molecules form dimeric pairs through hydrogen bonding in the solid state.
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
- Intermolecular interactions, such as hydrogen bonding, play a significant role in the self-assembly of molecules in the solid state.
Purpose of the Study:
- To determine and describe the crystal structure of the title compound, C(15)H(13)NO(2).
- To analyze the spatial arrangement of the indole and benzene rings within the molecule.
- To investigate the intermolecular interactions responsible for crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to obtain the precise atomic coordinates.
- Analysis of the crystal structure included determination of bond lengths, bond angles, and dihedral angles.
- Identification and analysis of hydrogen bonding networks within the crystal lattice.
Main Results:
- The crystal structure of C(15)H(13)NO(2) was successfully elucidated.
- A significant dihedral angle of 60.61(4)° was measured between the indole and benzene ring systems.
- The compound crystallizes in a centrosymmetric space group, forming dimeric pairs through O-H⋯O hydrogen bonds.
Conclusions:
- The determined crystal structure provides a detailed molecular and supramolecular description of C(15)H(13)NO(2).
- The observed dihedral angle indicates a non-planar conformation of the fused ring systems.
- The formation of dimeric units via hydrogen bonding is a key feature of the crystal packing.
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