Single crystal structure

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Synthesis, Spectral, X-Ray Single Structure, DFT Calculations and Antimicrobial Activities of [Co (II) X 2 (Dmphen)] (X = Br and SCN

Journal Title, Volume, Page: 
Journal of Molecular Structure. 01/2015; 1086(2015):153–160
Year of Publication: 
2015
Authors: 
Mousa Al-Noaimi
Department of Chemistry, Hashemite University, Zarqa 13115, Jordan
Firas F. Awwadi
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Salim F. Haddad
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Wamidh H. Talib
Department of Clinical Pharmacy and Therapeutics, Applied Science University, Amman 11931, Jordan
Shehdeh Jodeh
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Smaail Radi
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
Taibi Ben Hadda
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
Muneer Abdoh
Department of Physics, Faculty of Sciences, An-Najah National University, Nablus, Palestine
S. Naveen
Institution of Excellence, Vijnana Bhavana, University of Mysore, Manasagangotri, Mysore 570 006, India
N.K. Lokanath
Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India
Ismail Warad
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Preferred Abstract (Original): 

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Synthesis, Spectral, X-Ray Single Structure, DFT Calculations and Antimicrobial Activities of ‎‎[Co(II)X2 (Dmphen)] (X = Br And SCN−)‎

Journal Title, Volume, Page: 
Journal of Molecular Structure Volume 1086, Pages 153–160
Year of Publication: 
2015
Authors: 
Shehdeh Jodeh
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Muneer Abdoh
Current Affiliation: 
Department of Physics, Faculty of Science, An-Najah National University, Nablus, Palestine
Ismail Warad
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Mousa Al-Noaimi
Department of Chemistry, Hashemite University, Zarqa 13115, Jordan
Firas F. Awwadi
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Salim F. Haddad
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Wamidh H. Talib
Department of Clinical Pharmacy and Therapeutics, Applied Science University, Amman 11931, Jordan
Shehdeh Jodeh
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Smaail Radi
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
Taibi Ben Hadda
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
S. Naveen
Institution of Excellence, Vijnana Bhavana, University of Mysore, Manasagangotri, Mysore 570 006, India
N.K. Lokanath
Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India
Preferred Abstract (Original): 

Two tetrahedral mononuclear complexes with a general formula [CoX2(dmphen)](1–2) (where dmphen is 2,9-dimethyl-1,10-phenanthroline and 1 (X = Br), 2 (X = NCS)) have been synthesized. These complexes are characterized by elemental analysis, IR, UV–visible, TG/DTA and by X-ray diffraction. The calculated electrostatic potential surface of 2 has shown that the electrostatic potential values around sulfur atom is anistropically distributed; the potential values along C–S bond is less negative than the corresponding values in the π-region of S atom. This agrees with the observed geometrical arrangement of C–H⋯S–C hydrogen bonding interactions, the avg. of H⋯S–C angle is 81°. Antimicrobial properties of cobalt(II) complexes was also assessed. Cobalt complexes exhibited significant antibacterial activity against different gram negative and positive human pathogens. The absorption spectrum of these complexes in acetone was modeled by time-dependent density functional theory (TD-DFT).

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Synthesis, Spectral, X-Ray Single Structure, DFT ‎Calculations and Antimicrobial Activities of ‎‎[Co(II)X2 (Dmphen)] (X = Br And SCN−)‎

Journal Title, Volume, Page: 
Journal of Molecular Structure Volume 1086, Pages 153–160
Year of Publication: 
2015
Authors: 
Muneer Abdoh
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Current Affiliation: 
Department of Physics, Faculty of Science, An-Najah National University, Nablus, Palestine
Ismail Warad
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Mousa Al-Noaimi
Department of Chemistry, Hashemite University, Zarqa 13115, Jordan
Firas F. Awwadi
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Salim F. Haddad
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Wamidh H. Talib
Department of Clinical Pharmacy and Therapeutics, Applied Science University, Amman 11931, Jordan
Shehdeh Jodeh
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Smaail Radi
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
Taibi Ben Hadda
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
S. Naveen
Institution of Excellence, Vijnana Bhavana, University of Mysore, Manasagangotri, Mysore 570 006, India
N.K. Lokanath
Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India
Preferred Abstract (Original): 

Two tetrahedral mononuclear complexes with a general formula [CoX2(dmphen)](1–2) (where dmphen is 2,9-dimethyl-1,10-phenanthroline and 1 (X = Br), 2 (X = NCS)) have been synthesized. These complexes are characterized by elemental analysis, IR, UV–visible, TG/DTA and by X-ray diffraction. The calculated electrostatic potential surface of 2 has shown that the electrostatic potential values around sulfur atom is anistropically distributed; the potential values along C–S bond is less negative than the corresponding values in the π-region of S atom. This agrees with the observed geometrical arrangement of C–H⋯S–C hydrogen bonding interactions, the avg. of H⋯S–C angle is 81°. Antimicrobial properties of cobalt(II) complexes was also assessed. Cobalt complexes exhibited significant antibacterial activity against different gram negative and positive human pathogens. The absorption spectrum of these complexes in acetone was modeled by time-dependent density functional theory (TD-DFT).

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Synthesis, spectral, X-ray single structure, DFT Calculations and Antimicrobial Activities of [Co(II)X2 (dmphen)] (X= Br and SCN-)

Journal Title, Volume, Page: 
Journal of Molecular Structure Volume 1086, Pages 153–160
Year of Publication: 
2015
Authors: 
Ismail Warad
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Mousa Al-Noaimi
Department of Chemistry, Hashemite University, Zarqa 13115, Jordan
Firas F. Awwadi
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Salim F. Haddad
Chemistry Department, Faculty of Science, The University of Jordan, Amman 11942, Jordan
Wamidh H. Talib
Department of Clinical Pharmacy and Therapeutics, Applied Science University, Amman 11931, Jordan
Shehdeh Jodeh
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
Smaail Radi
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
Taibi Ben Hadda
Lab of Chemical Material, FSO, University Mohammed Premier, Oujda 60000, Morocco
Muneer Abdoh
Department of Chemistry, Science College, An-Najah National University, P.O. Box 7, Nablus, State of Palestine
S. Naveen
Institution of Excellence, Vijnana Bhavana, University of Mysore, Manasagangotri, Mysore 570 006, India
N. K. Lokanath
Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India
Preferred Abstract (Original): 

Two tetrahedral mononuclear complexes with a general formula [CoX2(dmphen)](1-2) (where dmphen
is 2,9-dimethyl-1,10-phenanthroline and 1 (X=Br), 2 (X=NCS)) have been synthesized. These complexes are characterized by elemental analysis, IR, UV-visible, TG/DTA and by X-ray diffraction. The calculated electrostatic potential surface of 2 has shown that the electrostatic potential values around sulfur atom is anistropically distributed; the potential values along C-S bond is less negative -region of S atom. This agrees with the observed geometricalpthan the corresponding values in the
.°arrangement of C-H…S-C hydrogen bonding interactions, the avg. of H…S-C angle is 81 Antimicrobial properties of cobalt (II) complexes was also assessed. Cobalt complexes exhibited significant antibacterial activity against different Gram negative and positive human pathogens. The absorption spectrum of these complexes in acetone was modeled by time-dependent density functional theory (TD-DFT).

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Crystal Structureoftrans-Dichloro(1,4-bis-(diphenylphosphino)butane)- (N,N'-1,2-dimethyl-ethanediamine)ruthenium(II), C32H40Cl2N2P2Ru

Journal Title, Volume, Page: 
Z. Kristallog r. NCS 227 (2012) 379-382 / DOI 10.1524/ncrs.2012. 0192
Year of Publication: 
2012
Authors: 
Hanan Al -Hussain
Department of chemistry, College of Science, King Saud University ,P.O.2 455, Riyadh 11451, Saudi Arabia
Ismail Warad
Department of chemistry, College of Science, King Saud University ,P.O.2 455, Riyadh 11451, Saudi Arabia
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Hamda Al-Enzi
Department of chemistry, College of Science, King Saud University ,P.O.2 455, Riyadh 11451, Saudi Arabia
Khalid Al-Farhan
Department of chemistry, College of Science, King Saud University ,P.O.2 455, Riyadh 11451, Saudi Arabia
Mohamed Ghazzali
Department of chemistry, College of Science, King Saud University ,P.O.2 455, Riyadh 11451, Saudi Arabia
Preferred Abstract (Original): 
Molecular rutheniumcomplexesarecurrentlyusedascatalysts to promote avariety of reactions with novel activation routes. Coordination and organometallic complexes of rutheniumhave unfolded wide possibilities for acollection of catalytic organic processes, taking advantages of the development in the
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Novel Pd(II)–Salen Complexes Showing High in Vitro Anti-Proliferative Effects Against Human Hepatoma Cancer By Modulating Specific Regulatory Genes

Journal Title, Volume, Page: 
Dalton Transactions, 2012,41, 10854-10864, DOI: 10.1039/C2DT31143G
Year of Publication: 
2012
Authors: 
Mohammad Azam
Department of Chemistry, King Saud University, P. O. Box 2455, Riyadh 11451, KSA
Zahid Hussain
Center of Excellence in Biotechnology Research, King Saud University, Riyadh, KSA
Ismail Warad
Department of Chemistry, King Saud University, P. O. Box 2455, Riyadh 11451, KSA
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Saud I. Al-Resayes
Department of Chemistry, King Saud University, P. O. Box 2455, Riyadh 11451, KSA
Mohd. Shahnawaz Khan
PRC, Department of Biochemistry, King Saud University, Riyadh 11451, KSA
Mohammad Shakir
Department of Chemistry, Aligarh Muslim University, Aligarh 202002, India
Agata Trzesowska-Kruszynskae
Department of X-ray Crystallography and Crystal Chemistry, Institute of General and Ecological Chemistry, Technical University of Lodz, Zeromskiego 116, 90-924, Lodz, Poland
Rafal Kruszynski
Department of X-ray Crystallography and Crystal Chemistry, Institute of General and Ecological Chemistry, Technical University of Lodz, Zeromskiego 116, 90-924, Lodz, Poland
Preferred Abstract (Original): 
We have reported the synthesis of a novel salen ligand and its mononuclear Pd–salen complexes derived from 2-{[2-hydroxy-3-{[(E)-(2-hydroxyphenyl)methylidene]amino}propyl)imino]methyl}phenol. The newly synthesized and isolated Pd(II) complexes have been identified and fully characterized by various physico-chemical studies viz., elemental analyses, IR, UV-Vis, 1H, 13C NMR spectroscopy, electron spray ionization mass spectrometry (ESI-MS) and TGA/DTA studies. The molecular structure of the salen ligand has been ascertained by single-crystal XRD and it is coordinated to Pd(II) ion through two nitrogen and two oxygen atoms. The UV-Vis data clearly suggest a square-planar environment around both the Pd(II) ions. The DNA binding studies of the synthesized compounds has been investigated by electron spectroscopy and fluorescence measurements. The results suggest that Pd(II) complexes bind to DNA strongly as compared to the free ligand. The free salen ligand and its Pd(II) complexes have also been tested against human hepatoma cancer cell line (Huh7) and results manifested exceptional anti-proliferative effects of the Pd(II) complexes. The anti-proliferative activity of Pd(II) complexes has been modulated by specific regulatory genes.
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Synthesis, Spectroscopic Characterization and Catalytic Significance of Palladium(II) Complexes Derived from 1,1 Bis(Diphenylphosphinomethyl) Ethane

Journal Title, Volume, Page: 
Journal of Molecular Structure Volume 1002, Issues 1–3, 14 September 2011, Pages 107–112
Year of Publication: 
2011
Authors: 
Ismail Warad
Department of Chemistry, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Current Affiliation: 
Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine
Mohammad Azam
Department of Chemistry, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Usama Karama
Department of Chemistry, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Saud Al-Resayes
Department of Chemistry, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Ahmed Aouissi
Department of Chemistry, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia
Belkheir Hammouti
LCAE-URAC18, Faculté des Sciences, Université Mohammed Ier B.P. 717, 60000 Oujda, Morocco
Preferred Abstract (Original): 
Two novel and neutral bidentate Palladium(II) complexes of the type, [PdX2(dpme)] (X = Cl 1, OAc 2], have been synthesized from 1,1-bis(diphenylphosphinomethyl)ethene (dpme) ligand and characterized on the basis of elemental analyses, infrared, FAB-MS and 1H-, 13C-, and 31P-NMR spectroscopy. The structure of 1 has been ascertained by single crystal X-ray crystallography and shows cis configuration in a square planar structure while the structural behavior of the dpme ligand through the formation of these complexes has been monitored by 31P{1H} NMR and IR spectra. These Pd(II) complexes have shown a very significant catalytic role in Heck reaction giving high yield under mild condition.
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Novel Di-Μ-Chloro-Bis[Chloro(4,7-Dimethyl-1,10-Phenanthroline)Cadmium(II)] Dimer Complex: Synthesis, Spectral, Thermal, and Crystal Structure Studies

Journal Title, Volume, Page: 
Research on Chemical Intermediates July 2013, Volume 39, Issue 6, pp 2451-2461
Year of Publication: 
2013
Authors: 
Ismail Warad
Department of Chemistry, Science College, King Saud University, P. O. Box 2455, Riyadh, 11451, Saudi Arabia
Maha Al-Ali
Department of Chemistry, College of Science, University of Hail, P. O. Box 2440, Hail, Saudi Arabia
Belkheir Hammouti
LCAE-URAC18, Faculté des Sciences, Université Mohammed Ier, 60000, Oujda, Morocco
Taibi Ben Hadda
Laboratoire Chimie Matériaux, FSO, Université Mohammed Ier, 60000, Oujda, Morocco
Rami Shareiah
Department of Basic Science, Allied Medical Science College, Applied Science Private University, P. O. Box 166, Amman, 11931, Jordan
Mohamed Rzaigui
Laboratoire de Chimie des Matériaux, Facultédes Sciences de Bizerte, 7021, Zarzouna Bizerte, Tunisia
Preferred Abstract (Original): 
A binuclear nickel(II) chloride complex with dimethyl-1,10-phenanthroline, di-μ-chloro-bis[chloro(2,9-dimethyl-1,10-phenanthroline)nickel(II)] dimer, has been prepared and its molecular structure determined by X-ray diffraction. The crystal is triclinic, space group P−1, with the Ni(II) in [NiCl2(C14H12N2)]2 coordinated to two N of the phen ligand and three Cl−, one terminal and two bridging. A center of inversion lies midway between two Ni(II). Overall Ni(II) coordination is distorted triangular bipyramidal. The dimer complex was also characterized by elemental analysis, FAB-MS, IR and UV–visible spectroscopy, and thermogravimetric analysis.
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