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Published on: August 16, 2018
2-[(4-Meth-oxy-anilino)meth-yl]phenol.
Hong Shu1, Ning-Shu Yu, Guo-Lan Xie
1School of Biology and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, People's Republic of China.
This study details the crystal structure of a novel organic compound, C(14)H(15)NO(2). Researchers observed a significant dihedral angle between benzene rings and identified intermolecular hydrogen bonds forming crystal chains.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular interactions is key in materials science.
- Crystal structure analysis provides insights into chemical bonding and physical properties.
- Organic compounds with specific dihedral angles can exhibit unique electronic and optical characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(15)NO(2).
- To investigate the intermolecular interactions governing the compound's solid-state arrangement.
- To quantify the dihedral angle between the two benzene rings within the molecule.
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 was performed.
- Identification and analysis of intermolecular hydrogen bonding networks (N-H⋯O and O-H⋯N) were conducted.
Main Results:
- The crystal structure of C(14)H(15)NO(2) was successfully determined.
- A dihedral angle of 71.10(5)° was measured between the two benzene rings.
- Intermolecular N-H⋯O and O-H⋯N hydrogen bonds were identified, forming chains along the b axis.
Conclusions:
- The title compound exhibits a specific non-planar conformation due to the dihedral angle between its benzene rings.
- The identified hydrogen bonding network dictates the self-assembly of molecules in the crystal lattice.
- This structural information is foundational for predicting and potentially tuning the compound's macroscopic properties.
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