Synthesis, characterization, antibacterial activity and quantum chemical studies of N'-Acetyl propane sulfonic acid hydrazide

Saliha Alyar*, Hamit Alyar, Ummuhan Ozmen Ozdemir, Omer Sahin, Kerem Kaya, Neslihan Ozbek, Ayla Balaban Gunduzalp

*Bu çalışma için yazışmadan sorumlu yazar

Araştırma sonucu: Dergiye katkıMakalebilirkişi

12 Atıf (Scopus)

Özet

A new N'-Acetyl propane sulfonic acid hydrazide, C3H7SO2NHNHCOCH3 (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 agreement with the experimental IR frequencies. Nonlinear optical (NLO) behaviour of Apsh is also examined by the theoretically predicted values of dipole moment (μ), polarizability (α0) and first hyperpolarizability (βtot). The antibacterial activities of synthesized compound were studied against Gram positive bacteria: Staphylococcus aureus ATCC 25923, Enterococcus faecalis ATCC 23212, Staphylococcus epidermidis ATCC 34384, Gram negative bacteria: Eschericha coli ATCC 25922, Pseudomonas aeruginosa ATCC 27853, Klebsiella pneumoniae ATCC 70063 by using microdilution method (as MICs) and disc diffusion method.

Orijinal dilİngilizce
Sayfa (başlangıç-bitiş)237-245
Sayfa sayısı9
DergiJournal of Molecular Structure
Hacim1094
DOI'lar
Yayın durumuYayınlandı - 15 Ağu 2015

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© 2015 Elsevier B.V. All rights reserved.

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