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Preparation of N-(2-alkoxyvinyl)sulfonamides from N-tosyl-1,2,3-triazoles and Subsequent Conversion to Substituted Phthalans and Phenethylamines
Published on: January 3, 2018
4-Bromo-anilinium hydrogen phthalate
1Department of Chemistry and Chemical Engineering, Weifang University, Weifang 261061, People's Republic of China.
Summary
This study details the crystal structure of a bromo-substituted organic salt. It reveals specific dihedral angles and highlights the formation of a 2D network through hydrogen bonding between cations and anions.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the solid-state structure of organic salts is crucial for predicting their physical and chemical properties.
- Bromo-substituted organic compounds are valuable in materials science and medicinal chemistry.
- Hydrogen bonding plays a key role in the self-assembly of crystalline materials.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(6)H(7)BrN(+)·C(8)H(5)O(4) (-).
- To analyze the molecular conformation, specifically the dihedral angles between the benzene ring and carboxylate/carboxylic acid groups.
- To investigate the intermolecular interactions, particularly hydrogen bonding, that govern crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into molecular geometry.
- Intermolecular interactions, including hydrogen bonds, were identified and characterized.
Main Results:
- The crystal structure of the title compound was successfully determined.
- Dihedral angles of 20.6(3)° and 83.2(3)° were observed between the benzene ring and the -COOH and -COO(-) groups, respectively, in the anion.
- Intermolecular N-H⋯O and O-H⋯O hydrogen bonds were identified, leading to the formation of a two-dimensional network parallel to the (001) plane.
Conclusions:
- The study provides a detailed structural characterization of the title organic salt.
- The observed dihedral angles indicate a specific conformational preference in the solid state.
- The identified 2D hydrogen-bonded network offers insights into the supramolecular assembly and potential material properties.
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