N’xx-(2-methoxy benzylidene)-N-[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-chloro-acetic hydrazide: X-ray structure, spectroscopic characterization and DFT studies
Yazarlar (4)
Dr. Öğr. Üyesi Ersin İnkaya Amasya Üniversitesi, Türkiye
Muharrem Dinçer
Ondokuz Mayıs Üniversitesi, Türkiye
Ondokuz Mayıs Üniversitesi, Türkiye
Dr. Öğr. Üyesi Öner EKİCİ Sinop Üniversitesi, Türkiye
Alaaddin Çukurovali
Fırat Üniversitesi, Türkiye
Fırat Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2012) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2012 |
| Cilt / Sayı / Sayfa | 1026 / 1 / 117–126 | DOI | 10.1016/j.molstruc.2012.05.059 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286012005224 | ||
| UAK Araştırma Alanları |
Analitik Kimya
|
||
| Özet |
| In this work, the structure of N′-(2-methoxy-benzylidene)-N-[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-chloro-acetic hydrazide, (C24H24ClN3O2S), was characterized by X-ray single crystal diffraction technique, IR-NMR spectroscopy and quantum chemical computational methods as both experimental and theoretically. The compound crystallizes in the orthorhombic space group P na21 with a=14.4170 (4)Å, b=11.5441 (4)Å, c=27.8420 (8)Å and Z=8. X-ray study shows that crystal has two independent molecules in the asymmetric unit. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311G(d,p) basis set and compared with the experimental data. To determine conformational flexibility, molecular energy profile of the tittle compound was obtained by semi-empirical (AM1) with respect to selected degree of torsional freedom, which was varied from −180° … |
| Anahtar Kelimeler |
| Cyclobutane | DFT calculations | IR and NMR spectroscopy | Non-linear optical properties | X-ray structure determination |
Science Direct
N’xx-(2-methoxy benzylidene)-N-[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-chloro-acetic hydrazide: X-ray structure, spectroscopic characterization and DFT studies
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 28 |
| Scopus | 33 |
| Google Scholar | 39 |