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5-Phenyl-1,3,4-oxadiazol-2-amine
Man-Man Song1, Kong-Li Wu, Lin Zhu
1Department of Chemistry, Zhengzhou University, Zhengzhou, 450052, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|November 6, 2012
Summary
This study examines the crystal structure of a C(8)H(7)N(3)O complex. Researchers found consistent bond lengths in the oxadiazole ring and observed specific molecular arrangements in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the structural properties of organic molecules is crucial for developing new materials.
- Oxadiazole derivatives are important scaffolds in medicinal chemistry and materials science.
- Detailed crystallographic analysis provides insights into molecular geometry and intermolecular interactions.
Purpose of the Study:
- To determine the precise crystal structure of the C(8)H(7)N(3)O complex.
- To analyze the bond lengths and angles within the oxadiazole ring.
- To investigate the intermolecular interactions and crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to collect diffraction data.
- The crystal structure was solved and refined using standard crystallographic software.
- Analysis of bond lengths, bond angles, and hydrogen bonding networks was performed.
Main Results:
- The C-O and C=N bond lengths within the oxadiazole ring were found to be nearly identical, irrespective of substituents.
- The phenyl ring exhibited a slight inclination relative to the planar oxadiazole ring (13.42°).
- Molecules were observed to form double-stranded chains through N-H⋯N hydrogen bonds in the crystal.
Conclusions:
- The structural data reveals a high degree of planarity in the oxadiazole core.
- The observed hydrogen bonding pattern dictates the crystal packing and influences bulk properties.
- This detailed structural characterization provides a foundation for further studies on related oxadiazole compounds.
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