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Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
4-Ethyl-anilinium 2-carb-oxy-acetate
1College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Summary
The crystal structure reveals hydrogen malonate anions forming chains linked by O-H⋯O bonds. 4-ethyl-anilinium cations connect these chains into a 2D network via N-H⋯O bonds.
Area of Science:
- Crystal engineering
- Supramolecular chemistry
- Materials science
Background:
- Understanding intermolecular interactions is crucial for designing novel materials.
- Hydrogen bonding plays a key role in the self-assembly of molecular structures.
- Anilinium salts are versatile building blocks in supramolecular chemistry.
Purpose of the Study:
- To elucidate the crystal structure of the 4-ethyl-anilinium hydrogen malonate salt.
- To investigate the hydrogen bonding patterns and network formation in the title compound.
- To understand the role of cations and anions in directing supramolecular assembly.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the crystal structure.
- Analysis of intermolecular O-H⋯O and N-H⋯O hydrogen bonds was performed.
- Structural characterization of the hydrogen malonate anion and 4-ethyl-anilinium cation interactions.
Main Results:
- The crystal structure exhibits infinite chains of hydrogen malonate anions linked by COO(-)⋯HO(2)C hydrogen bonds.
- These anion chains are arranged in a head-to-tail fashion parallel to the b axis.
- 4-ethyl-anilinium cations bridge adjacent anion chains via N-H⋯O hydrogen bonds, forming a 2D network parallel to the b and c axes.
Conclusions:
- The study successfully determined the crystal structure and supramolecular architecture of 4-ethyl-anilinium hydrogen malonate.
- The observed hydrogen bonding patterns dictate the formation of extended 1D and 2D networks.
- This work provides insights into the rational design of crystalline materials based on anilinium salts and hydrogen malonate anions.
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