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2-[(4-Chloro-anilino)meth-yl]phenol
1School of Biology and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|November 18, 2011
Summary
The crystal structure of C(13)H(12)ClNO reveals a significant dihedral angle between benzene rings. Molecules form chains via hydrogen bonding, indicating specific intermolecular interactions in the solid state.
Area of Science:
- Crystallography
- Molecular structure analysis
- Supramolecular chemistry
Background:
- Understanding molecular packing and intermolecular forces is crucial in solid-state chemistry.
- Hydrogen bonding plays a key role in dictating crystal lattice structures.
- The compound C(13)H(12)ClNO presents an interesting case for studying these interactions.
Purpose of the Study:
- To elucidate the crystal structure of C(13)H(12)ClNO.
- To analyze the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
- To determine the spatial arrangement of the molecule 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 dihedral angles provided structural insights.
- Identification and analysis of hydrogen bonding networks (O-H⋯N and N-H⋯O) were performed.
Main Results:
- The dihedral angle between the two benzene rings in C(13)H(12)ClNO was determined to be 68.71(8)°.
- Inversion dimers were observed, formed by pairs of O-H⋯N hydrogen bonds.
- Intermolecular N-H⋯O interactions further linked these dimers into a chain structure parallel to the a axis.
Conclusions:
- The crystal structure of C(13)H(12)ClNO is characterized by a specific dihedral angle between its aromatic rings.
- The observed hydrogen bonding patterns dictate a supramolecular architecture involving inversion dimers and linear chains.
- This study provides fundamental insights into the solid-state behavior and intermolecular forces of this chlorinated organic compound.
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