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Updated: Jun 1, 2026
05:07
Microwave-Assisted Preparation of 1-Aryl-1H-pyrazole-5-amines
Published on: June 23, 2019
5-Chloro-methyl-1,3-dimethyl-1H-pyrazole
Summary
The pyrazole ring in C(6)H(9)ClN(2) is nearly flat. Molecules form chains in the crystal structure through specific C-H⋯N interactions.
Area of Science:
- Crystallography
- Chemical structure analysis
Background:
- Understanding the three-dimensional arrangement of atoms in molecules is crucial for predicting their properties and reactivity.
- Pyrazole derivatives are important scaffolds in medicinal chemistry and materials science.
Purpose of the Study:
- To determine the precise crystal structure of the title compound, C(6)H(9)ClN(2).
- To investigate the intermolecular interactions governing the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using standard crystallographic software.
Main Results:
- The pyrazole ring within the C(6)H(9)ClN(2) molecule exhibits near planarity, with a root-mean-square deviation of 0.003 Å.
- Intermolecular interactions, specifically C-H⋯N hydrogen bonds, link the molecules together.
- These interactions result in the formation of one-dimensional [100] chains within the crystal lattice.
Conclusions:
- The study provides detailed crystallographic data for C(6)H(9)ClN(2).
- The observed crystal packing is dictated by C-H⋯N interactions, leading to chain formation.
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