5 3 4 dichlorophenyl 3 4 2 pyridyl piperazine 1 yl methyl 1 3 4 oxadiazole 2 3H one Synthesis characterization X ray and DFT structures
Yazarlar (4)
I. Ozkan
M. Koksal
S. Isik
Makale Türü Açık Erişim Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı JOURNAL OF STRUCTURAL CHEMISTRY (Q4)
Dergi ISSN 0022-4766 Dergi Bilgileri (2012)
Dergi Tarandığı Indeksler SCI
Makale Dili İngilizce Basım Tarihi 09-2012
Kabul Tarihi – Yayınlanma Tarihi 01-09-2012
Cilt / Sayı / Sayfa 53 / 5 / 938–942 DOI 10.1134/S0022476612050162
Makale Linki http://link.springer.com/10.1134/S0022476612050162
UAK Araştırma Alanları
Yoğun Madde Fiziği
Özet
5-(3,4-Dichlorophenyl)-3-{[4-(2-pyridyl)piperazine-1-yl)]methyl}-1,3,4-oxadiazole-2(3H)-one C18H17Cl2N5O2 (3) is synthesized and characterized by IR, 1H NMR, 13C NMR, elemental analyses, single-crystal X-ray diffraction, and the molecular structure is also optimized at the B3LYP/6-31G(d,p) level using density functional theory (DFT). All data obtai...
Anahtar Kelimeler
1,3,4-oxadiazole | piperazine ring | synthesis | X-ray crystallography | DFT