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Microwave-Assisted Preparation of 1-Aryl-1H-pyrazole-5-amines
Published on: June 23, 2019
2-(4-Meth-oxy-phen-oxy)pyrazine.
Shah Bakhtiar Nasir1, Zanariah Abdullah, Azizah Mainal
1Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
The crystal structure of a novel organic compound reveals near-orthogonal aromatic rings. These molecules form undulating layers through specific intermolecular interactions in the solid state.
Area of Science:
- Crystallography
- Organic Chemistry
- Supramolecular Chemistry
Background:
- Understanding the solid-state packing of organic molecules is crucial for predicting material properties.
- Aromatic ring orientation and intermolecular forces dictate crystal lattice formation.
- The compound C(11)H(10)N(2)O(2) presents an interesting case for studying these relationships.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(11)H(10)N(2)O(2).
- To analyze the spatial arrangement of aromatic rings and identify intermolecular interactions.
- To describe the resulting packing motifs in the crystalline state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of the crystal structure included bond lengths, bond angles, and dihedral angles.
- Intermolecular interactions, specifically C-H⋯π interactions, were identified and characterized.
Main Results:
- The crystal structure of C(11)H(10)N(2)O(2) was successfully determined.
- The two aromatic rings within the molecule exhibit a near-orthogonal arrangement with a dihedral angle of 86.97°.
- Centrosymmetrically related molecules form dimers connected by C-H⋯π interactions, leading to undulating layered structures along the a axis.
Conclusions:
- The study provides detailed structural insights into C(11)H(10)N(2)O(2).
- The observed near-orthogonal orientation and specific intermolecular interactions govern the crystal packing.
- The findings contribute to the understanding of structure-property relationships in organic crystalline materials.
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