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Updated: Jun 1, 2026

Microwave-Assisted Preparation of 1-Aryl-1H-pyrazole-5-amines
Published on: June 23, 2019
N'-[1-(4-Amino-phen-yl)ethyl]pyrazine-2-carbohydrazide
This study details the crystal structure of a C(13)H(13)N(5)O compound, revealing intramolecular hydrogen bonds that stabilize its unique molecular arrangement. The research highlights specific dihedral angles between key ring systems within the molecule.
Area of Science:
- Crystallography
- Molecular Chemistry
- Organic Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in organic compounds is crucial for predicting their properties and reactivity.
- Hydrogen bonding plays a significant role in molecular self-assembly and crystal lattice stabilization.
- The specific compound C(13)H(13)N(5)O was selected for structural investigation.
Purpose of the Study:
- To determine the precise crystal structure of the title compound, C(13)H(13)N(5)O.
- To identify and analyze the types of interactions, specifically hydrogen bonds, stabilizing the crystal lattice.
- To quantify the spatial arrangement of the pyrazine and 4-aminophenyl rings through dihedral angle measurements.
Main Methods:
- Single-crystal X-ray diffraction was employed to obtain detailed structural data.
- Analysis of the crystal structure involved identifying hydrogen bond donors and acceptors.
- Dihedral angles between the pyrazine and 4-aminophenyl rings were calculated from the crystallographic data.
Main Results:
- The title compound, C(13)H(13)N(5)O, crystallizes with two molecules in the asymmetric unit.
- Intramolecular N-H⋯N and N-H⋯O hydrogen bonds were identified as key stabilizing forces within the crystal structure.
- The dihedral angles between the pyrazine and 4-aminophenyl rings were found to be 2.5(1)° and 6.5(1)° for the two molecules in the asymmetric unit.
Conclusions:
- The crystal structure of C(13)H(13)N(5)O is well-defined and stabilized by specific intramolecular hydrogen bonding interactions.
- The observed dihedral angles provide precise information about the relative orientation of the aromatic rings, influencing the molecule's overall conformation.
- This structural data serves as a foundation for further studies on the compound's physical and chemical properties.
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