1,3-Dimethyl-1H-indazol-6-amine.
Summary
The molecular structure of C(9)H(11)N(3) is nearly planar. Hydrogen bonds in the crystal structure arrange the molecules into a specific packing formation.
Area of Science:
- Crystallography
- Molecular Chemistry
Background:
- Understanding the three-dimensional arrangement of atoms in molecules is crucial for predicting their properties and interactions.
- Crystal packing influences macroscopic material characteristics.
Purpose of the Study:
- To determine the precise molecular structure and crystal packing of the compound C(9)H(11)N(3).
- To investigate the role of intermolecular forces, specifically hydrogen bonding, in the observed crystal structure.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- The molecular geometry and atomic deviations from planarity were quantified.
Main Results:
- The molecular skeleton of C(9)H(11)N(3) was found to be almost planar, with minimal deviation (0.0325(19) Å) at the amino nitrogen atom.
- Intermolecular N-H⋯N hydrogen bonds were identified as the primary force governing the crystal packing.
Conclusions:
- The study elucidates the near-planar molecular conformation of C(9)H(11)N(3).
- Hydrogen bonding plays a significant role in directing the self-assembly and crystal lattice formation of this compound.
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