1,4-Bis(5-methyl-1H-1,2,4-triazol-3-yl)benzene tetrahydrate C12H12N6·4H2O
2011
Crystal Structure of 1,4-Bis(5-methyl-1H-1,2,4-triazol-3-yl)benzene Tetrahydrate
publication
Evidence: moderate
Author Information
Author(s): Zhu Ai-Xin, Chen Xiu-Li, Li Zhen, Du Yuan-Chao, Wang Hong-Can
Primary Institution: Yunnan Normal University
Hypothesis
The study aims to report the crystal structure of the compound 1,4-bis(5-methyl-1H-1,2,4-triazol-3-yl)benzene.
Conclusion
The crystal structure reveals a three-dimensional network formed by hydrogen bonds and π–π stacking interactions.
Supporting Evidence
- The compound adopts a cis configuration with a dihedral angle of 5.5°.
- Water molecules form a one-dimensional zigzag chain through hydrogen bonds.
- Intermolecular hydrogen bonds connect the water chains to the organic molecule.
Takeaway
The researchers looked at a special chemical compound and found out how its tiny parts are arranged in a solid form.
Methodology
The compound was synthesized and its crystal structure was analyzed using X-ray diffraction.
Limitations
There are limited reports on the crystal structures of 1,2,4-triazole derivatives attached to aromatic groups.
Digital Object Identifier (DOI)
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