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Published on: August 16, 2018
2-(2H-Indazol-2-yl)-1-phenyl-ethanone
Ozden Ozel Güven1, Gökhan Türk, Philip D F Adler
1Department of Chemistry, Bülent Ecevit University, 67100 Zonguldak, Turkey.
Acta Crystallographica. Section E, Structure Reports Online
|February 21, 2013
Summary
This study reveals two distinct molecular conformations within the crystal structure of C(15)H(12)N(2)O. These molecules are stabilized by various weak intermolecular interactions, including hydrogen bonds and pi-interactions.
Area of Science:
- Crystallography
- Chemical Physics
- Organic Chemistry
Background:
- Understanding molecular conformation is crucial for predicting chemical properties.
- Crystal packing influences material characteristics and reactivity.
- Indazole derivatives are important scaffolds in medicinal chemistry.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(15)H(12)N(2)O.
- To analyze the conformational differences between independent molecules in the asymmetric unit.
- To investigate the intermolecular interactions responsible for crystal lattice stabilization.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Conformational analysis focused on dihedral angles between the phenyl and indazole ring systems.
- Intermolecular interactions were identified and characterized using geometric criteria.
Main Results:
- The asymmetric unit contains two independent molecules of C(15)H(12)N(2)O with distinct conformations.
- Dihedral angles between the phenyl and indazole mean planes are 50.82(5)° and 89.29(6)° for the two molecules.
- Crystal packing is stabilized by a network of weak C-H⋯O and C-H⋯N hydrogen bonds, along with C-H⋯π interactions.
Conclusions:
- The study highlights significant conformational flexibility in the title compound within the solid state.
- Weak intermolecular forces play a critical role in organizing these molecules in the crystal lattice.
- The detailed structural information provides a foundation for further studies on related indazole derivatives.
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