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Microwave-Assisted Preparation of 1-Aryl-1H-pyrazole-5-amines

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Methyl pyrazine-2-carboxyl-ate.

Chang-Hua Zhang, Xue-Jie Tan, Dian-Xiang Xing

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

Summary

This summary is machine-generated.

This study characterizes a planar organic compound, C(6)H(6)N(2)O(2). Molecules form a 3D network through weak intermolecular interactions in the crystal structure.

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Area of Science:

Crystallography
Chemical Physics

Background:

Understanding molecular structure and intermolecular forces is crucial in materials science.
Crystal engineering relies on predicting and controlling how molecules pack.

Purpose of the Study:

To determine the crystal structure and molecular geometry of the title compound C(6)H(6)N(2)O(2).
To investigate the intermolecular interactions governing the compound's solid-state assembly.

Main Methods:

Single-crystal X-ray diffraction was employed to analyze the crystal structure.
Analysis of atomic deviations from planarity and intermolecular contact distances.

Main Results:

The title compound C(6)H(6)N(2)O(2) exhibits an approximately planar molecular geometry, with a root-mean-square deviation of 0.0488(3) Å.
Weak intermolecular interactions, specifically C-H⋯O and C-H⋯N hydrogen bonds, were identified.
These interactions facilitate the formation of an infinite three-dimensional network in the crystal.

Conclusions:

The planar nature of the molecule and the identified weak interactions dictate the observed 3D crystal packing.
This structural insight contributes to the broader understanding of crystal formation and intermolecular forces in organic solids.