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Updated: May 22, 2026
05:07
Microwave-Assisted Preparation of 1-Aryl-1H-pyrazole-5-amines
Published on: June 23, 2019
3,5-Dimethyl-1-(4-nitro-phen-yl)-1H-pyrazole
Summary
This study details the crystal structure of a pyrazole derivative, C(11)H(11)N(3)O(2). It reveals twisted rings and π-π interactions forming supra-molecular chains, offering insights into molecular assembly.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Pyrazole derivatives are important scaffolds in medicinal chemistry and materials science.
- Understanding the solid-state structure of organic molecules is crucial for predicting their properties and designing new materials.
Purpose of the Study:
- To elucidate the crystal structure of the pyrazole derivative C(11)H(11)N(3)O(2).
- To investigate the intermolecular interactions governing its solid-state packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, dihedral angles, and intermolecular distances was performed.
Main Results:
- The crystal structure revealed a significant twist (31.38°) between the benzene and pyrazole rings.
- The nitro group was found to be nearly coplanar with the benzene ring.
- Supramolecular chains were observed along the b-axis, stabilized by π-π interactions (3.8653 Å) involving both ring systems.
Conclusions:
- The non-planar arrangement of the rings influences the molecular packing.
- π-π interactions play a key role in the formation of extended supramolecular structures.
- The findings provide fundamental insights into the structure-property relationships of pyrazole derivatives.
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