Synthesis characterization antibacterial activity and quantum chemical studies of N Acetyl propane sulfonic acid hydrazide
Yazarlar (7)
Saliha Alyar Karatekin University, Türkiye
Hamit Alyar Karatekin University, Türkiye
Ummuhan Ozmen Ozdemir Gazi Üniversitesi, Türkiye
Omer Sahin İstanbul Teknik Üniversitesi, Türkiye
Kerem Kaya İstanbul Teknik Üniversitesi, Türkiye
Prof. Dr. Neslihan ÖZBEK Kırşehir Ahi Evran Üniversitesi, Türkiye
Ayla Balaban Gunduzalp Gazi Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Molecular Structure
Dergi ISSN 0022-2860 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI
Makale Dili İngilizce Basım Tarihi 08-2015
Kabul Tarihi 12-04-2026 Yayınlanma Tarihi
Cilt / Sayı / Sayfa 1094 / 1 / 237–245 DOI 10.1016/j.molstruc.2015.03.059
Makale Linki http://linkinghub.elsevier.com/retrieve/pii/S002228601500294X
Özet
A new N’-Acetyl propane sulfonic acid hydrazide, C3H7single bondSO2single bondNHsingle bondNHsingle bondCOCH3 (Apsh, an sulfon amide compound) has been synthesized for the first time. The structure of Apsh was investigated using elemental analysis, spectral (IR, 1H/13C NMR) measurements. In addition, molecular structure of the Apsh was determined by single crystal X-ray diffraction technique and found that the compound crystallizes in monoclinic, space group P 21/c. 1H and 13C shielding tensors for crystal structure were calculated with GIAO/DFT/B3LYP/6-311++G(d,p) methods in CDCl3. The structure of Apsh is optimized using Density Functional Theory (DFT) method. The vibrational band assignments were performed at B3LYP/6-311++G(d,p) theory level combined with scaled quantum mechanics force field (SQMFF) methodology. The theoretical IR frequencies are found to be in good …
Anahtar Kelimeler
Antibacterial activity | Biological activities | DFT | Propane sulfonic acid hydrazide | X-ray