Journal article
Two Bifunctionalised Derivatives of 1,2,4-Triazole
Journal of chemical crystallography
28 Jan 2022
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
Structures are described for the aldehyde 3,5-bis[2-(2'-formylphenoxymethyl)]-1,2,4-triazole and the new pyrazole compound 3,5-bis[(3',5'-dimethyl)methylpyrazol-1'N-yl)]-1,2,4-triazole, for which the synthesis is given. The former crystallises in the space group Pna2(1) and the latter in P1[bar]. The remaining triazole N-H moiety forms hydrogen bonds, and is not disordered in the solid state. This latter property and molecular twisting features associated with the molecules' individually chiral conformations are commented upon. The electronic spectra are reported, with DFT calculations indicating that the much longer-wavelength UV absorptions of the aldehyde are dominated by the benzaldehyde moieties.
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Details
- Title
- Two Bifunctionalised Derivatives of 1,2,4-Triazole
- Creators
- Sadik Elshani - Drexel UniversityJerry P. Jasinski - Keene State CollegeAnthony W. Addison - Drexel UniversityGorDan T. Reeves - Stockton University
- Publication Details
- Journal of chemical crystallography
- Publisher
- Springer Nature
- Number of pages
- 11
- Grant note
- Drexel University Stockton University CHE-1039027 / NSF-MRI program; National Science Foundation (NSF); NSF - Office of the Director (OD)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000750396900001
- Scopus ID
- 2-s2.0-85123953790
- Other Identifier
- 991019168634904721
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- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Crystallography
- Spectroscopy