1-Allyl-3-chloro-6-nitro-1H-indazole
Summary
This study reveals the planar structure of the indazole system in a specific chloro-nitro-indazole compound. The nitro group is also found to be coplanar with this fused-ring system.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- The structural characterization of heterocyclic compounds is crucial for understanding their chemical properties and potential applications.
- Indazole derivatives are known for their diverse biological activities and are important scaffolds in medicinal chemistry.
Purpose of the Study:
- To determine the precise three-dimensional structure of the title compound, C(10)H(8)ClN(3)O(2).
- To investigate the planarity of the indazole core and the orientation of the nitro substituent within the molecule.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to elucidate the molecular structure.
- Refinement of crystallographic data provided precise atomic coordinates and bond parameters.
Main Results:
- The indazole system in both independent molecules of the title compound was found to be planar, with root-mean-square (r.m.s.) deviations of 0.005 Å.
- The nitro group was observed to be coplanar with the fused-ring system, indicated by small dihedral angles of 1.3(3)° and 4.8(3)°.
Conclusions:
- The title compound exhibits a planar indazole core with a coplanar nitro group, suggesting specific electronic and steric properties.
- These structural findings provide a foundation for further investigations into the reactivity and potential applications of this chloro-nitro-indazole derivative.
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