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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Gümüs, Sümeyye Kazak, Canan Agar, Erbil Yilmaz, Isil Ardali, Yüksel |
| Description | Country affiliation: Turkey Author Affiliation: Yilmaz I ( Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayis University, Kurupelit, 55139 Samsun, Turkey. isilylmaz@gmail.com) |
| Abstract | The title molecule, (E)-3-chloro-N-((5-nitrothiophen-2-yl)methylene)aniline, (C(11)H(7)ClN(2)O(2)S), was synthesized and characterized by IR and single-crystal X-ray structure determination. The compound crystallizes in the monoclinic space group P2(1)/c. In addition, the molecular geometry, vibrational frequencies and frontier molecular orbitals analysis of the title compound in the ground state have been calculated by using the PM3 semi-empirical, HF/6-31G(d) and B3LYP/6-31G(d) ab initio methods. The results of the optimized molecular structure are exhibited and compared with the experimental X-ray diffraction and the calculated results are show that the optimized geometry can well reproduce the crystal structure. The Schiff base compounds are very important in medicinal and pharmaceutical fields because of their wide spectrum of biological activities. Most of them show biological activities such as antimicrobial, antifungal as well as antitumor activity. Therefore, (C(11)H(7)ClN(2)O(2)S) was investigated for their antimicrobial activities, Gram-positive and Gram-negative bacteria. |
| ISSN | 13861425 |
| Volume Number | 97 |
| e-ISSN | 18733557 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2012-11-01 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Aniline Compounds Pharmacology Anti-infective Agents Thiophenes Chemistry Bacteria Drug Effects Crystallography, X-ray Microbial Sensitivity Tests Molecular Conformation Thermodynamics Vibration Journal Article Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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