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Updated: May 20, 2026
05:07
Microwave-Assisted Preparation of 1-Aryl-1H-pyrazole-5-amines
Published on: June 23, 2019
2-Methyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyrimidine
Summary
This study details the crystal structure of a novel compound, C(10)H(9)N(5). Molecules form linear chains through hydrogen bonds, with specific dihedral angles observed between fused ring systems.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional structure of organic compounds is crucial for predicting their properties and reactivity.
- Fused heterocyclic systems, such as imidazopyrimidines and pyrazoles, are prevalent in medicinal chemistry and materials science.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(10)H(9)N(5).
- To analyze the molecular geometry, including planarity and dihedral angles of the fused ring systems.
- To investigate the intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided insights into the molecular geometry.
- Identification and analysis of intermolecular interactions, such as hydrogen bonds, were performed.
Main Results:
- The compound C(10)H(9)N(5) crystallizes with a fused 2-methyl-imidazo[1,2-a]pyrimidine ring system that is nearly planar.
- The 1H-pyrazole ring exhibits a significant rotation of 28.16° relative to the imidazopyrimidine plane.
- Molecules are arranged in linear chains along the [100] crystallographic direction, mediated by N-H⋯N hydrogen bonds.
Conclusions:
- The crystal structure of C(10)H(9)N(5) reveals specific conformational preferences and intermolecular interactions.
- The observed hydrogen bonding network dictates the extended chain formation in the solid state.
- This structural information is fundamental for further investigations into the compound's potential applications.
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