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

Alyar, Saliha; Alyar, Hamit; Ozdemir, Ummuhan Ozmen; Sahin, Omer; Kaya, Kerem; ÖZBEK, NESLİHAN; Gunduzalp, Ayla Balaban

doi:10.1016/j.molstruc.2015.03.059

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
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, 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.

Anahtar Kelimeler

Antibacterial activity | Biological activities | DFT | Propane sulfonic acid hydrazide | X-ray

Science Direct

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
WoS	13
SCOPUS	12
Google Scholar	16

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

Dergi Adı	Journal of Molecular Structure
Yayıncı	Elsevier B.V.
Açık Erişim	Hayır
ISSN	0022-2860
E-ISSN	1872-8014
CiteScore	8,0
SJR	0,628
SNIP	0,999

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

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