Novel 1,2,4-Triazole Derivatives: Structure, DFT Study, X-Ray Analysis, and Antimicrobial Activity
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY, cilt.55, sa.2, ss.254-261, 2019 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 55 Sayı: 2
- Basım Tarihi: 2019
- Doi Numarası: 10.1134/s1070428019020192
- Dergi Adı: RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.254-261
- Karadeniz Teknik Üniversitesi Adresli: Evet
Özet
A series of novel 4-(4-methoxyphenethyl)-3,5-disubstime-4H-1,2,4-triazoles (3) are synthesized by reacting one of hydrazonates (1) with 2-(4-methoxyphenyl)ethanamine (2). The structures of compounds 3a-3f are elucidated from IR and NMR spectra. Compounds 3b and 3d are characterized also by X-ray crystallography. DFT computations of the compounds involve Gaussian 09 software package with Gauss Viewvisualization program. In determination of geometric optimization, vibrational frequencies, chemical shift values, DFT/B3LYP method with 6-311++G(d,p) basis set is used. Newly synthesized compounds are screened for antimicrobial activity. Compounds 3c-3f containing the 4-hydroxyphenyl group demonstrate moderate antimicrobial activity.