Synthesis, Spectroscopic and Computational Studies of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Yazarlar (4)
Prof. Dr. Naki Çolak Hitit Üniversitesi, Türkiye
Saliha Altıner
Prof. Dr. Zarife Sibel ŞAHİN Sinop Üniversitesi, Türkiye
Prof. Dr. Ayla Balaban Gündüzalp Gazi Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SCOPUS dergilerinde yayınlanan tam makale)
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| Dergi Adı | GAZI UNIVERSITY JOURNAL OF SCIENCE | ||
| Dergi ISSN | 2147-1762 Dergi Bilgileri (2017) | ||
| Dergi Tarandığı Indeksler | ESCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2017 |
| Cilt / Sayı / Sayfa | 30 / 3 / 245–254 | DOI | – |
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| Aromatic/heteroaromatic Schiff base was synthesized by the reaction of 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile with 2,3-dihydroxybenzaldehyde. Titled compound was characterized by elemental analysis, FT-IR, 1H NMR, 13C-APT NMR and single crystal X-ray diffraction methods. Imine compound was crystallized in triclinic crystal system with space group P-1. X-ray studies reveal that our molecule is stabilized by O-H···N and C-H···O hydrogen bonds and intermolecular π∙∙∙π interactions. The molecular structure of Schiff base was optimized by density functional theory (DFT) method using B3LYP/6-311+G(2d,p) quantum set in Gaussian 09W software program. The chemical shifts and geometrical parameters were also computed by the same quantum level and compared with the experimental results of (E)-2-(2,3-dihydroxy)-benzylidene)amino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile. |
| Anahtar Kelimeler |
| Schiff base | Crystal structure | Aminothiophenes | Gewald methods | DFT method |
