Synthesis, structural studies, Hirshfeld surface analysis, and molecular docking studies of a thiophene-based Schiff base compound
Yazarlar (9)
Dr. Öğr. Üyesi Sevgi Kansız Samsun University, Türkiye
Mohammad Azam
College Of Sciences, Suudi Arabistan
Arş. Gör. Taşkın Basılı Ondokuz Mayis University Faculty Of Science And Arts, Türkiye
Dr. Öğr. Üyesi Seher MERAL Sinop Üniversitesi, Türkiye
Arş. Gör. Feyzi Alkım Aktaş Samsun University, Türkiye
Semanur Yeşilbağ
Ondokuz Mayis University Faculty Of Science And Arts, Türkiye
Kim Min
Dongguk University, Gyeongju, Güney Kore
Ayşen Alaman Ağar Ondokuz Mayis University Faculty Of Science And Arts, Türkiye
Prof. Dr. Necmi Dege Ondokuz Mayis University Faculty Of Science And Arts, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Molecular Structure (Q2)
Dergi ISSN 0022-2860 Dergi Bilgileri (2022)
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili Türkçe Basım Tarihi 10-2022
Kabul Tarihi – Yayınlanma Tarihi 01-10-2022
Cilt / Sayı / Sayfa 1265 / 1 / 133477–0 DOI 10.1016/j.molstruc.2022.133477
Makale Linki http://dx.doi.org/10.1016/j.molstruc.2022.133477
UAK Araştırma Alanları
Fiziksel Kimya
Özet
A novel nitrothiophene derivative, ((Z)-N-(4-nitrophenyl)-1-(5-nitrothiophen-2-yl)ethan-1-imine, NNPEI, was synthesized by a condensation reaction and characterized by FT-IR, UV–Vis., ¹H-NMR and ¹³C-NMR spectroscopy, and single-crystal X-ray crystallography. The structure was further confirmed by theoretical studies using the DFT/B3LYP method with...
Anahtar Kelimeler
DFT | Hirshfeld surface analysis | Molecular docking | Single-crystal structure | Thiophene derivative