Synthesis, Crystal Structure and Cyclic Voltammetric Behavior of N-aroyl-N?-(4?-cyanophenyl)thioureas
[ X ]
Tarih
2022
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Mdpi
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Herein, two title compounds, N-benzoyl-N'-(4'-cyanophenyl)thiourea (1) and N-(4-nitrobenzoyl)-N'-(4'-cyanophenyl)thiourea (2) were synthesized in a high yield, via different applications of aroyl isocyanate and 4-aminobenzonitrile. The structure of the prepared compounds was characterized by elemental analysis and FT-IR, H-1, and C-13-NMR spectroscopic methods. The crystal structure of the title compound 1 was determined by an X-ray single-crystal technique and an intramolecular C=O center dot center dot center dot H-N hydrogen bond and intermolecular C=S center dot center dot center dot H-N and C=S center dot center dot center dot H-C hydrogen interactions, which were observed for the crystal structure. The molecular electrostatic potential (MEP) and the Mulliken atomic charges of title compounds 1 and 2 were theoretically calculated and interpreted. Cyclic voltammetric (CV) experiments for the compounds were performed with the glassy carbon electrode. The reduction in potential values of the different functional groups such as nitro and cyano in title compounds were investigated using CV curves.
Açıklama
Anahtar Kelimeler
N-aroylthioureas, CV curves, crystal structure, 4-aminobenzonitrile, MEP
Kaynak
Molbank
WoS Q Değeri
N/A
Scopus Q Değeri
Q4
Cilt
2022
Sayı
1
