6-Chloro-1-methyl-indoline-2,3-dione
Hua Quan Liu1, Wei Tang, De Cai Wang
1Sate Key Laboratory of Materials-Oriented Chemcial Engineering, College of Life Science and Pharmaceutical Engineering, Nanjing University of Technology, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 20, 2012
Summary
This study reveals the C(9)H(6)ClNO(2) molecule is nearly planar, with its indoline ring and substituents showing minimal deviation. Hydrogen bonds play a key role in stabilizing the crystal structure.
Area of Science:
- Crystallography
- Molecular structure determination
Background:
- Understanding molecular geometry is crucial in chemistry and materials science.
- Planarity and intermolecular interactions influence crystal packing and properties.
Purpose of the Study:
- To determine the precise three-dimensional structure of the C(9)H(6)ClNO(2) molecule.
- To investigate the role of intermolecular forces in its crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the molecular and crystal structure.
- Analysis of atomic deviations from the mean plane and identification of hydrogen bonding interactions.
Main Results:
- The C(9)H(6)ClNO(2) molecule exhibits a high degree of planarity, with the indoline ring deviating minimally from its mean plane.
- Substituents on the ring also show negligible deviation from planarity.
- The crystal structure is stabilized by C-H⋯O hydrogen bonds, indicating specific intermolecular interactions.
Conclusions:
- The title molecule possesses a near-planar conformation.
- Intermolecular C-H⋯O hydrogen bonding is a significant factor in the consolidation of the crystal structure.
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