Synthesis, Structural Investigation, Hirshfeld Surface Analysis, and Biological Evaluation of N-(3-Cyanothiophen-2-yl)-2-(thiophen-2-yl)acetamide
Yazarlar (9)
Doç. Dr. Şükriye ÇAKMAK Sinop Üniversitesi, Türkiye
Sevgi Kansiz
Mohammad Azam
Prof. Dr. Cem Cüneyt ERSANLI Sinop Üniversitesi, Türkiye
Onder Idil
Doç. Dr. Aysel VEYİSOĞLU Sinop Üniversitesi, Türkiye
Hasan Yakan
Halil Kutuk
Arunabhiram Chutia
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | ACS Omega (Q2) | ||
| Dergi ISSN | 2470-1343 Dergi Bilgileri (2022) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 04-2022 |
| Cilt / Sayı / Sayfa | 7 / 13 / 11320–11329 | DOI | 10.1021/acsomega.2c00318 |
| Makale Linki | http://dx.doi.org/10.1021/acsomega.2c00318 | ||
| UAK Araştırma Alanları |
Organik Kimya
Organik Kimya
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| Özet |
| In this study, a novel heterocyclic amide derivative, N-(3-cyanothiophen-2-yl)-2-(thiophen-2-yl)acetamide (I), was obtained by reacting 2-aminothiophene-3-carbonitrile with activated 2-(thiophen-2-yl)acetic acid in a N-acylation reaction and characterized by elemental analyses, FT-IR, 1H and 13C NMR spectroscopic studies, and single crystal X-ray crystallography. The crystal packing of I is stabilized by C–H···N and N–H···N hydrogen bonds. In addition, I was investigated computationally using the density functional theory (DFT) method with the B3LYP exchange and correlation functions in conjunction with the 6311++G(d,p) basis set in the gas phase. Fukui function (FF) analysis was also carried out. Electrophilicity-based charge transfer (ECT) method and charge transfer (ΔN) were computed to examine the interactions between I and DNA bases (such as guanine, thymine, adenine, and cytosine). The most … |
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BM Sürdürülebilir Kalkınma Amaçları
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| Web of Science | 17 |
| Scopus | 19 |
| Google Scholar | 25 |