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Updated: May 20, 2026
08:43
Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives
Published on: January 19, 2016
6-Meth-oxy-1,3-benzothia-zol-2-amine
Summary
This study details the molecular structure of a novel organic compound, C(8)H(8)N(2)OS. Its near-planar configuration and intermolecular hydrogen bonding create extended chain structures.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Intermolecular forces, such as hydrogen bonding, play a significant role in the self-assembly and structural organization of crystalline solids.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(8)H(8)N(2)OS.
- To investigate the nature and extent of intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the precise atomic coordinates and molecular geometry.
- Analysis of intermolecular contacts and hydrogen bond geometries was performed.
Main Results:
- The title compound, C(8)H(8)N(2)OS, exhibits a nearly planar molecular conformation.
- A meth-oxy group's C-C-O-C torsion angle was measured at 0.72(1)°, indicating minimal deviation from planarity.
- Inter-molecular amine N-H⋯N hydrogen bonds form inversion dimers, characterized by the graph set R(2)(2)(8).
- These dimers are further extended into one-dimensional chains along the b-axis via amine N-H⋯O hydrogen bonds.
Conclusions:
- The crystal structure of C(8)H(8)N(2)OS is characterized by a near-planar molecular geometry.
- The compound self-assembles through a combination of N-H⋯N and N-H⋯O hydrogen bonds, leading to the formation of extended chains.
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