Crystal structure | An-Najah Staff

Crystal structure of 1'-ethylspiro[chroman-4,4'-imidazolidine]-2',5'-dione: a hydantoine derivative

Mon, 2016-02-15 15:25 — Ismail Warad

Journal Title, Volume, Page:

Acta Cryst. (2015). E71, o705–o706 doi:10.1107/S2056989015016175

Year of Publication:

2015

Link:

http://scripts.iucr.org/cgi-bin/paper?S2056989015016175

Authors:

S. B. Benaka Prasad

Department of Chemistry, School of Engineering and Technology, Jain University, Bangalore 562 112

S. Naveen

Institution of Excellence, University of Mysore, Manasagangotri, Mysuru 570 006, India

M. Madaiah

Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysuru 570 006, India

N. K. Lokanath

Department of Studies in Physics, University of Mysore, Manasagangotri, Mysuru 570 006, India

Ismail Warad

Department of Chemistry, Faculty of Science, An-Najah National University, P.O. Box 7, Nablus, Palestine

Current Affiliation:

Department of Chemistry, Faculty of Science, An-Najah National University, P.O. Box 7, Nablus, Palestine

Muneer Abdoh

Department of Chemistry, Faculty of Physics, An-Najah National University, P.O. Box 7, Nablus, Palestine

Preferred Abstract (Original):

The title compound, C₁₃H₁₃N₂O₃, a hydantoin derivative, crystallized with two molecules (A and B) in an asymmetric unit. In molecule A, the imidazolidine ring is twisted about the C-N bond involving the spiro C atom, while in molecule B this ring is flat (r.m.s. deviation = 0.010 Å). The pyran rings in both molecules have distorted half-chair conformations. The mean plane of the imidazolidine ring is inclined to the aromatic ring of the chroman unit by 79.71 (11)° in molecule A and 82.83 (12)° in molecule B. In the crystal, pairs of N-HO hydrogen bonds link the individual molecules to form A-A and B-B inversion dimers. The dimers are linked via N-HO and C-HO hydrogen bonds, forming sheets lying parallel to the bc plane, viz. (011). Within the sheets, the A and B molecules are linked by C-H interactions.

Synthesis, Spectral, Electrochemical, Crystal Structure Studies of two Novel di-μ-halo-bis[halo(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)cadmium(II)] dimer Complexes and their Thermolysis to Nanometal Oxide

Wed, 2015-08-05 07:22 — Ismail Warad

Journal Title, Volume, Page:

Journal of Molecular Structure 1099 (2015) 323 - 329

Year of Publication:

2015

Link:

http://www.sciencedirect.com/science/article/pii/S0022286015300727

Authors:

Muneer Abdoh

Department of Physics, Faculty of Sciences, An-Najah National University, Nablus, Palestine

Ismail Warad

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

Lokanath K Neratur

Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India

Rachid Salghi

Laboratory of Environmental Engineering and Biotechnology, ENSA, Universit e Ibn Zohr, PO Box 1136, 80000 Agadir, Morocco

Mohammed A. Al-Nuri

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

Belkheir Hammouti

Laboratoire de Chimie Appliqu ee et Environnement (LCAE), Facult e des Sciences, Universit e Mohamed I, 60 000 Oujda, Morocco

S. Naveen

Institution of Excellence, Vijnana Bhavan, University of Mysore, Manasagangotri, Mysore 570 006, India

Preferred Abstract (Original):

Two new neutral dimer Cadmium(II) complexes, [Cd2(dmdphphen)2X4] and where X = Cl (complex 1), Br (complex 2), and dmdphphen = 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline, were synthesized and characterized by an elemental analysis, UV-Vis, IR, TG/DTA, CV and single crystal X-ray diffraction. Complex 1 crystallizes in the triclinic system with the space group P-1 with unit cell parameters a = 10.1124(8) Å, b = 10.8875(8) Å, c = 11.5730(9) Å, α = 108.323(3)º, β = 107.010(3)º, γ = 91.260(3)º V = 1147.51(15) Å3 and Z = 1. The Cd(II) ions are located in a slightly distorted square-pyramidal geometry. The complexes exhibit a quasi-reversible one electron response at -570 mV vs. Cp2Fe/Cp2Fe+ , which has been assigned Cd(II)/Cd(III) couples. TG/DTA result shows that these complexes are very stable and decomposed through one step reaction. Calcination of Complex 1, revealed the formation of Cubic nanoparticle CdO.

Synthesis, Spectral, Electrochemical, Crystal Structure Studies of two Novel di-μ-halo-bis[halo(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)cadmium(II)] dimer Complexes and their Thermolysis to Nanometal Oxide

Tue, 2015-08-04 12:35 — Mohammed Abdullah Al-Nuri

Journal Title, Volume, Page:

Journal of Molecular Structure 1099 (2015) 323-329

Year of Publication:

2015

Authors:

Muneer Abdoh

Department of Physics, Faculty of Sciences, An-Najah National University, Nablus, Palestine

Ismail Warad

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

S. Naveen

Institution of Excellence, Vijnana Bhavan, University of Mysore, Manasagangotri, Mysore 570 006, India

Lokanath K Neratur

Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India

Rachid Salghi

Laboratory of Environmental Engineering and Biotechnology, ENSA, Universit e Ibn Zohr, PO Box 1136, 80000 Agadir, Morocco

Mohammed A. Al-Nuri

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

Shehdeh Jodeh

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

Smaail Radi

Laboratoire de Chimie Appliquée et Environnement (LCAE), Faculté des Sciences, Université Mohamed I, 60 000 Oujda, Morocco

Belkheir Hammouti

Laboratoire de Chimie Appliquée et Environnement (LCAE), Faculté des Sciences, Université Mohamed I, 60 000 Oujda, Morocco

Preferred Abstract (Original):

Two new neutral dimer Cadmium(II) complexes, [Cd2(dmdphphen)2X4] and where X = Cl (complex 1), Br (complex 2), and dmdphphen = 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline, were synthesized and characterized by an elemental analysis, UV-Vis, IR, TG/DTA, CV and single crystal X-ray diffraction. Complex 1 crystallizes in the triclinic system with the space group P-1 with unit cell parameters a = 10.1124(8) Å, b = 10.8875(8) Å, c = 11.5730(9) Å, α = 108.323(3)º, β = 107.010(3)º, γ = 91.260(3)º V = 1147.51(15) Å3 and Z = 1. The Cd(II) ions are located in a slightly distorted square-pyramidal geometry. The complexes exhibit a quasi-reversible one electron response at -570 mV vs. Cp2Fe/Cp2Fe+ , which has been assigned Cd(II)/Cd(III) couples. TG/DTA result shows that these complexes are very stable and decomposed through one step reaction. Calcination of Complex 1, revealed the formation of Cubic nanoparticle CdO.

see the full file here

Synthesis, Spectral, Electrochemical, Crystal Structure Studies of two Novel di-μ-halo-bis[halo(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)cadmium(II)] dimer Complexes and their Thermolysis to Nanometal Oxide

Tue, 2015-08-04 11:55 — Dr. Muneer Mustafa Mahd Abdoh

Journal Title, Volume, Page:

Journal of Molecular Structure 1099 (2015) 323-329

Year of Publication:

2015

Authors:

Muneer Abdoh

Department of Physics, Faculty of Sciences, An-Najah National University, Nablus, Palestine

Ismail Warad

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

S. Naveen

Institution of Excellence, Vijnana Bhavan, University of Mysore, Manasagangotri, Mysore 570 006, India

Lokanath K Neratur

Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India

Rachid Salghi

Laboratory of Environmental Engineering and Biotechnology, ENSA, Universit e Ibn Zohr, PO Box 1136, 80000 Agadir, Morocco

Mohammed A. Al-Nuri

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

Belkheir Hammouti

Laboratoire de Chimie Appliqu ee et Environnement (LCAE), Facult e des Sciences, Universit e Mohamed I, 60 000 Oujda, Morocco

Preferred Abstract (Original):

Two new neutral dimer Cadmium(II) complexes, [Cd2(dmdphphen)2X4] and where X = Cl (complex 1), Br (complex 2), and dmdphphen = 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline, were synthesized and characterized by an elemental analysis, UV-Vis, IR, TG/DTA, CV and single crystal X-ray diffraction. Complex 1 crystallizes in the triclinic system with the space group P-1 with unit cell parameters a = 10.1124(8) Å, b = 10.8875(8) Å, c = 11.5730(9) Å, α = 108.323(3)º, β = 107.010(3)º, γ = 91.260(3)º V = 1147.51(15) Å3 and Z = 1. The Cd(II) ions are located in a slightly distorted square-pyramidal geometry. The complexes exhibit a quasi-reversible one electron response at -570 mV vs. Cp2Fe/Cp2Fe+ , which has been assigned Cd(II)/Cd(III) couples. TG/DTA result shows that these complexes are very stable and decomposed through one step reaction. Calcination of Complex 1, revealed the formation of Cubic nanoparticle CdO.

see the full file here

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A Hirshfeld Surface Analysis and Crystal Structure of 2’-[1-(2-Fluoro-Phenyl)-1H-tetrazol-5-Yl]-4-Methoxy-Biphenyl-2-Carbaldehyde

Thu, 2015-01-29 09:55 — Dr. Muneer Mustafa Mahd Abdoh

Journal Title, Volume, Page:

Crystal Structure Theory and Applications 01/2013; 02(03):124-131. DOI: 10.4236/csta.2013.23017

Year of Publication:

2013

Link:

http://www.scirp.org/journal/PaperInformation.aspx?paperID=37258#.VMnqJC7-n_I

Authors:

S. Madan Kumar

Department of Studies in Physics, University of Mysore, Mysore, India

B. C. Manjunath

Department of Studies in Physics, University of Mysore, Mysore, India

G. S. Lingaraju

Department of Studies in Chemistry, University of Mysore, Mysore, India

M. M. M. Abdoh

Department of Physics, Faculty of Science, An-Najah National University, Nablus, Palestine

Current Affiliation:

Department of Physics, Faculty of Science, An-Najah National University, Nablus, Palestine

M. P. Sadashiva

Department of Studies in Chemistry, University of Mysore, Mysore, India

N. K. Lokanath

Department of Studies in Physics, University of Mysore, Mysore, India

Preferred Abstract (Original):

The title compound, C₂₁H₁₅FN₄O₂ is synthesized and characterized by ¹H NMR, LC-MS and finally confirmed by single crystal X-ray diffraction method. This molecule crystallizes in the monoclinic crystal system and space group P21/c, with crystal parameters a = 9.4386(5) A, b = 20.8082(1) A, c = 9.4338(6) A, β = 99.566(2)⁰, Z = 4 and V = 1826.98(19) A³.The mean planes of fluro-phenyl moiety makes a dihedral angle of 21.51 (7)⁰with biphenyl moiety. The molecules are connected by hydrogen bonds of the type C---H...O and C---H...F. In addition, crystal structure is stabilized with π … π(exhibits intramolecular interaction) and C---O... π interactions. The intercontacts in the crystal structure are analyzed using Hirshfeld surfaces computational method.

Crystal Structure of Diphenyl Pyraline Hydrochloride-Cobalt Chloride Complex

Wed, 2014-02-26 13:05 — Dr. Muneer Mustafa Mahd Abdoh

Journal Title, Volume, Page:

Mol. Cryst. Liq. Cryst, 1994, Vol. 250, 285- 291

Year of Publication:

1994

Link:

http://www.tandfonline.com/doi/abs/10.1080/10587259408028213?journalCode=gmcl19

Authors:

M. M. M. Abdoh

Department of Studies in Physics , University of Mysore , Manasagangothri, Mysore, 570006, India

Current Affiliation:

Department of Physics, Faculty of Science, An-Najah National University, Nablus, Palestine

[email protected]

M. A. Sridhar

Department of Studies in Physics , University of Mysore , Manasagangothri, Mysore, 570006, India

A. Indira

Department of Studies in Physics , University of Mysore , Manasagangothri, Mysore, 570006, India

S. B. Bellad

Department of Studies in Physics , University of Mysore , Manasagangothri, Mysore, 570006, India

A. M. Babu

Department of Studies in Physics , University of Mysore , Manasagangothri, Mysore, 570006, India

J. S. Prasad

Department of Studies in Physics , University of Mysore , Manasagangothri, Mysore, 570006, India

P. G. Ramappa

Department of Studies in Chemistry , University of Mysore , Manasagangothri, Mysore, 570006, India

K. G. Somasekharappa

Department of Studies in Chemistry , University of Mysore , Manasagangothri, Mysore, 570006, India

Preferred Abstract (Original):

The crystal structure of the complex of diphenyl pyraline hydrochloride with cobalt chloride, C₃₈H₄₆O₂N₂Cl₄Co has been determined by X-ray diffraction using CuKα radiation. The compound crystallizes in monoclinic space group P2₁/n with the cell parameters a = 18.120(4)Å, b = 8.179(3)Å, c = 26.805(3)Å, β = 102.60(1)° with Z = 4, V = 3876(1)Å³. The structure was solved using 5484 reflections. The stucture was refined to a final wR of 0.2944 (R = 0.1130). The packing of the molecules shows a layered arrangement.

Crys tal struc ture of 4,5-dichloro-anthracen-9(10H)-one, C14H8Cl2O

Mon, 2013-08-26 14:26 — Ismail Warad

Journal Title, Volume, Page:

Z. Kristallogr. NCS 228 (2013) xxx-xxx / DOI 10.1524/ncrs.2013.0211

Year of Publication:

2013

Link:

http://www.degruyter.com/view/j/ncrs.ahead-of-print/ncrs.2013.0211/ncrs.2013.021...

Preferred Abstract (Original):

C14H8Cl2O, monoclinic, P21/c (no. 14), a = 7.4510(4) Å,b = 15.0430(7) Å, c = 10.5973(4) Å, b = 104.829(3)°,V = 1148.2 Å3, Z = 4, Rgt(F) = 0.0470, wRref(F2) = 0.1494,T = 296 K.

2-Phenoxyethyl Benzoate

Wed, 2013-04-24 12:53 — Ismail Warad

Journal Title, Volume, Page:

Acta Crystallographica Section E, Volume 69, Part 5, Page o789, May 2013

Year of Publication:

2013

Link:

http://journals.iucr.org/e/issues/2013/05/00/zs2256/index.html

Authors:

Mousa Al-Noaimi

Department of Chemistry, Hashemite University, Zarqa 13115, Jordan

[email protected]

Ismail Warad

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

[email protected]

Salim F. Haddad

Department of Chemistry, The University of Jordan, Amman 11942, Jordan

Ahmad Husein

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

Rami Shareiah

Department of Basic Science, Allied Medical Science College, Applied Science Private University, PO Box 166, Amman 11931, Jordan

Preferred Abstract (Original):

In the title compound, C15H14O3, the dihedral angle between the benzene rings is 75.85 (7)°. In the crystal, centrosymmetrically related molecules are weakly associated through pairs of interactions between a benzene ring and an O atom of the ester group [ring centroid O = 3.952 (7) Å], and through pairs of interactions between the other benzene ring and an O atom of the phenoxy group [ring centroid O = 3.912 (7) Å], giving chains extending along [110].

Crystal Structure of N-[(Methylsulfonyl)Oxy]-N-((E)-2-(Methylsulfonyl) Oxy]Imino-1,2-Diphenylethylidene)Amine, C16H16N2O6S2

Mon, 2013-04-15 15:15 — Ismail Warad

Journal Title, Volume, Page:

Z. Kristallogr. NCS 225 (2010) 611-612 / DOI 10.1524/ncrs.2010.0267

Year of Publication:

2010

Link:

ftp://ftp.oldenbourg.de/pub/download/frei/ncs/225-3/1267-3082.pdf

Authors:

Ismail Warad

King Saud University, Department of Chemistry, P.O. Box 2455, 11451 Riyadh, Saudi Arabia

Current Affiliation:

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

[email protected]

Mohammed Ghazzali

King Saud University, Department of Chemistry, P.O. Box 2455, 11451 Riyadh, Saudi Arabia

Saud I. Al-Resayes

King Saud University, Department of Chemistry, P.O. Box 2455, 11451 Riyadh, Saudi Arabia

Khalid Al-Farhan

King Saud University, Department of Chemistry, P.O. Box 2455, 11451 Riyadh, Saudi Arabia

Zied Al-Othman

King Saud University, Department of Chemistry, P.O. Box 2455, 11451 Riyadh, Saudi Arabia

Preferred Abstract (Original):

C16H16N2O6S2, triclinic, P1 (no. 2), a = 5.392(2) Å, b = 9.300(4) Å, c = 9.420(4) Å, = 93.933(9)°, = 90.20(1)°, = 106.375(9)°, V = 452.0 Å3, Z = 1, Rgt(F) = 0.047, wRref(F2) = 0.157, T = 293 K

Supported Organometallic Complexes Part 39: Cationic Diamine(Ether–Phosphine)Ruthenium(II) Complexes as Precursors for the Hydrogenation of Trans-4-Phenyl-3-Butene-2-One

Wed, 2013-03-13 15:59 — Ismail Warad

Journal Title, Volume, Page:

Inorganica Chimica Acta Volume 357, Issue 6, 20 April 2004, Pages 1847–1853 Protagonists in Chemistry: Helmut Werner

Year of Publication:

2004

Link:

http://www.sciencedirect.com/science/article/pii/S0020169303007461

Authors:

Ismail Warad

Institut für Anorganische Chemie der Universität Tübingen, Auf der Morgenstelle 18, D-72076 Tubingen, Germany

Current Affiliation:

Department of Chemistry, Faculty of Science, An-Najah National University, Nablus, Palestine

[email protected]

Klaus Eichele

Institut für Anorganische Chemie der Universität Tübingen, Auf der Morgenstelle 18, D-72076 Tubingen, Germany

Hermann A Mayer

Institut für Anorganische Chemie der Universität Tübingen, Auf der Morgenstelle 18, D-72076 Tubingen, Germany

Ekkehard Lindner

Institut für Anorganische Chemie der Universität Tübingen, Auf der Morgenstelle 18, D-72076 Tubingen, Germany

Current Affiliation:

[email protected]

Preferred Abstract (Original):

Treatment of RuCl2(η1-Ph2PCH2CH2OCH3)2(diamine) (1L1–1L7) with one equivalent of AgX (X=OTf, BF4) in CH2Cl2 results in the formation of the monocationic ruthenium(II) complexes [RuCl(η1-Ph2PCH2CH2OCH3)(η2-Ph2PCH2CH2OCH3)(diamine)]+X− (2L1–2L7). These complexes were characterized by NMR, and mass spectroscopy as well as by elemental analyses, 2L1 additionally by an X-ray structural analysis. Complex 2L1 crystallizes in the monoclinic space group C2/c with Z=8. The monocationic and neutral complexes were applied as catalysts in the selective hydrogenation of trans-4-phenyl-3-butene-2-one. With the exception of 1L3/1L7 and 2L3/2L7 all catalysts showed high activities and selectivities toward the hydrogenation of the carbonyl group under mild conditions. However, the activity of the cationic catalysts is only half of that of their neutral congeners.