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Experimental (X-ray, FT-IR, and UV-Vis Spectroscopy) and Theoretical Methods (DFT Study) of N’xx-(Dipyridin-2-ylmethylene)-4-methylbenzenesulfonohydrazide     
Yazarlar
Erbil Murat Aydın
Hitit Üniversitesi, Türkiye
Dr. Öğr. Üyesi Murat ÇINARLI Dr. Öğr. Üyesi Murat ÇINARLI
Ahi Evran Üniversitesi, Türkiye
Hümeyra Batı
Ondokuz Mayıs Üniversitesi, Türkiye
Nezihe Çalışkan
Gazi Üniversitesi, Türkiye
Çiğdem Yüksektepe Ataol
Çankırı Karatekin Üniversitesi, Türkiye
Özet
A new hydrazone derivative was synthesized and characterized by IR, UV-Vis spectroscopy, elemental analysis and single-crystal X-ray diffraction. The compound was established to reveal antibacterial activity. The compound (C18H16N4O2S) crystallizes in monoclinic crystal system with C2/c space group. The molecular structure is stabilized by a C–HO intermolecular hydrogen bond. Quantum chemical calculations based on DFT/B3LYP/6-31G(d, p) were carried out and the results were compared with the experimental data. The calculated vibrational frequencies were used to determine the types of molecular motions associated with each of the observed experimental bands. UV-Vis absorption spectra of the compound calculated by TD-DFT have been ascribed to their corresponding molecular structure and electron transitions.
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı CRYSTALLOGRAPHY REPORTS
Dergi ISSN 1063-7745
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q4
Makale Dili İngilizce
Basım Tarihi 12-2017
Cilt No 62
Sayı 7
Sayfalar 1122 / 1127
Doi Numarası 10.1134/S1063774517070045
Makale Linki https://link.springer.com/article/10.1134/S1063774517070045