Fossato di Vico, Italy
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Aloui Z.,University of Carthage | Ferretti V.,Center for Structural Diffractometry | Abid S.,University of Carthage | Lefebvre F.,ESPCI ParisTech | And 2 more authors.
Journal of Molecular Structure | Year: 2016

A novel organic-inorganic hybrid compound, 2-methoxyanilinium pentabromobismuthate(III), [C7H10NO]2BiBr5, was synthesized and its structure determined by means of single crystal X-ray diffraction studies at room temperature. The molecule crystallizes in the orthorhombic C2221 space group with cell parameters a = 11.8870(4), b = 23.4775(8), c = 8.1232(3) Å, V = 2267.0(1) Å3 and four molecules in the unit cell. The structure of the title compound is built up from one-dimensional [BiBr5]2n- n polyanionic zig-zag chains composed of deformed BiBr6 octahedra share Br(2) apex and 2-methoxyanilinium cations. The assignment of the vibrational bands was based on comparison with vibrational mode frequencies of homologous compounds. Theoretical calculations were performed using density functional theory (DFT) for studying the vibrational spectrum of the investigated molecule in its ground state. The 13C CP-MAS NMR spectrum is in agreement with the X-ray structure. © 2016 Published by Elsevier B.V.


Ben Nasr M.,CNRS Laboratory of Crystallography, Nuclear Magnetic Resonance and Modelling | Aubert E.,CNRS Laboratory of Crystallography, Nuclear Magnetic Resonance and Modelling | Ferretti V.,Center for Structural Diffractometry | Espinosa E.,CNRS Laboratory of Crystallography, Nuclear Magnetic Resonance and Modelling | And 3 more authors.
Journal of Structural Chemistry | Year: 2015

A new Cu (II) complex with bidentate o-phenanthroline (phen) ligand, ([Cu(phen)]2(H2PO4)2HPO4)2(H3PO4)4, has been synthesized and characterized by single crystal X-ray diffraction, IR spectroscopy and magnetic data. The crystal structural analysis shows that the title compound contains two phosphate-bridged dimeric units ([Cu(phen)]2(H2PO4)HPO4), which are crystallographically independent. In these units, each copper atom is five coordinated and the geometry around the Cu(II) can be described as slightly distorted square-based pyramidal, with τ parameter varying between 0.001 and 0.04. The crystal structure is stabilized by O-H...O and C-H...O hydrogen bonds between the dimeric units and the phosphoric acid molecules. In addition, the organic ligands are associated by π-π stacking interactions between neighboring non-nitrogen aromatic rings. The infrared spectrum recorded at room temperature was interpreted on the basis of data published in the literature. The magnetic susceptibilities data show a weak intra-dimer ferromagnetic interaction with J = 31.8 K. © 2015 Pleiades Publishing, Ltd.


Aloui Z.,University of Carthage | Ferretti V.,Center for Structural Diffractometry | Abid S.,University of Carthage | Rzaigui M.,University of Carthage | And 2 more authors.
Journal of Molecular Structure | Year: 2015

The present paper undertakes the study of [C6H16N2O]SbCl5 which is a new hybrid compound. It is synthesized and characterized by single-crystal X-ray diffraction, thermal analysis, IR and solid state NMR spectroscopies. The centrosymmetric compound crystallizes in the monoclinic space group P21/n, with the following unit cell parameters: a = 9.8519(2), b = 8.8345(2), c = 17.3087(4) Å, β = 102.3(1)° and Z = 4. The atomic arrangement shows an alternation of organic and inorganic entities. The cohesion between these entities is performed via N-H⋯Cl and O-H⋯Cl hydrogen bonding to form a three-dimensional network. The 13C CP-MAS NMR spectrum is in agreement with the X-ray structure. Infrared and Raman spectra at room temperature are recorded in the 4000-400 and 500-100 cm-1 frequency regions respectively. This study confirms the presence of the organic cation [C6H16N2]2+ and of the [SbCl5]2- anion. DFT calculations allow the attribution of the carbon peaks to the different atoms. © 2015 Elsevier B.V. All rights reserved.


Aloui Z.,University of Carthage | Ferretti V.,Center for Structural Diffractometry | Abid S.,University of Carthage | Lefebvre F.,ESPCI ParisTech | And 2 more authors.
Journal of Molecular Structure | Year: 2015

Physico-chemical properties of a new organic bismuthate(III), [C2H5N4]4Bi2Cl10 are discussed on the basis of X-ray crystal structure investigation. This compound crystallizes in the monoclinic space group C2/c, with a = 16.3622(3), b = 12.7941(2), c = 14.8178(2) Å, β = 98.5660(10)°, V = 3067.35(8) Å3 and Z = 4. The crystal structure consists of discrete binuclear [Bi2Cl10]4- anions and 3-amino-1-H-1,2,4-triazolium cations. The crystal packing is governed by strong NH⋯N and weak NH⋯Cl hydrogen bonds and Π-Π stacking interactions to form three-dimensional network. The 13C CP-MAS NMR spectrum is in agreement with the X-ray structure. The infrared study confirms the presence of the organic cation [C2H5N4]+. The vibrational absorption bands were identified by infrared spectroscopy and DFT calculations allowed their attribution. © 2015 Elsevier B.V. All rights reserved.


Nbili W.,University of Carthage | Kaabi K.,University of Carthage | Ferretti V.,Center for Structural Diffractometry | Lefebvre F.,ESPCI ParisTech | Ben Nasr C.,University of Carthage
Journal of Molecular Structure | Year: 2015

Physico-chemical properties of a new organic indate(III) (C5H8N3O)2[InCl5(H2O)].H2O are discussed on the basis of its X-ray crystal structure investigation. The asymmetric unit includes two independent 2-amino-6-methylpyrimidinium-4-(1H)-one cations, one aquapentachloridoindate dianion, and one crystallization water molecule. The InIII ion is in a slightly distorted octahedral coordination geometry. In the crystal structure, the dimeric species formed by two metal complexes and two water molecules are connected to the 2-amino-6-methylpyrimidin-4-1H)-one cations through N-H⋯Cl hydrogen bonds to build 2D sheets parallel to the (b, a + c) plane. The 13C and 15N CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed attributions of NMR signals and of the IR bands. © 2015 Elsevier B.V.


Aloui Z.,University of Carthage | Ferretti V.,Center for Structural Diffractometry | Abid S.,University of Carthage | Rzaigui M.,University of Carthage | Nasr C.B.,University of Carthage
Journal of Chemical Sciences | Year: 2015

Organic-inorganic hybrid single crystals of [2,3-(CH3)2C6H3NH3]4BiBr6NO3.2H2O were obtained by slow evaporation at room temperature and characterized by X-ray diffraction, IR and solid state NMR. This compound crystallizes in orthorhombic non-centrosymmetric space group Pca21 with the following lattice parameters: a = 25.8217(1), b = 7.8909(2), c = 21.4328(3) Å, V = 4367.07(13) Å3 and Z = 4. The structure was refined to R = 0.057 for 7069 independent reflections. The crystal is built up of 2,3-dimethylanilinium cations, [BiBr6]3-, disordered [NO3] anions and water molecules. The crystal packing is governed by a three-dimensional network of O-H⋯O, N-H⋯O and N-H⋯Br hydrogen bonds and van der Waals interaction. The infrared spectrum has been interpreted on the basis of literature data. Solid state 13C CP-MAS-NMR spectrum is in agreement with the X-ray structure. [Figure not available: see fulltext.] © 2015 Indian Academy of Sciences.


Soudani S.,University of Carthage | Ferretti V.,Center for Structural Diffractometry | Jelsch C.,University of Lorraine | Lefebvre F.,ESPCI ParisTech | Nasr C.B.,University of Carthage
Journal of Solid State Chemistry | Year: 2016

The chemical preparation, crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the novel cadmium (II) 4-hydroxy-1-methylpiperidine complex, Cd4Cl10(C6H14NO)2·2H2O, have been reported. The atomic arrangement can be described as built up by an anionic framework, formed by edge sharing CdCl6 and CdCl5O octahedral linear chains spreading along the a-axis. These chains are interconnected by water molecules via O-H⋯Cl and O-H⋯O hydrogen bonds to form layers parallel to (011) plane. The organic cations are inserted between layers through C-H⋯Cl hydrogen bonds. Investigation of intermolecular interactions and crystal packing via Hirshfeld surface analysis reveals that the HC⋯Cl and HC⋯HC intermolecular interactions are the most abundant contacts of the organic cation in the crystal packing. The statistical analysis of crystal contacts reveals the driving forces in the packing formation. The 13C and 15N CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks and of the IR bands. © 2015 Elsevier Inc. All rights reserved.


Aloui Z.,University of Carthage | Ferretti V.,Center for Structural Diffractometry | Abid S.,University of Carthage | Rzaigui M.,University of Carthage | Nasr C.B.,University of Carthage
Journal of Thermal Analysis and Calorimetry | Year: 2015

Abstract The synthesis and the structures of two new compounds with the general formula [C6H18N2O]2Bi2X10-2H2O (X = Br, Cl) are reported. They crystallize in the triclinic system and are isostructural. Crystal structures were solved and refined to R = 0.064, 0.048 and R w = 0.15, 0.13 using 3392, 3679 independent reflections for the Cl and Br derivatives, respectively. The atomic arrangement can be described by inorganic chains along the [100] direction. These chains are themselves interconnected by means of N-H⋯X (X = Cl, Br) originating from the [C6H18N2O]2+ entities, to form three-dimensional network. The organic part consists of one organic cation which orients its two amine groups to the neighboring anions. The inorganic entity is made up of [Bi2X10]4- dimers composed of two equivalent irregular octahedra sharing one edge. The oxygen atoms of the water molecules (OW) act as donor (O-H⋯X) and acceptor (N-H⋯O) of hydrogen bonds. The nature of the distortion of the inorganic polyhedra can be attributed to the stereoactivity of the Bi(III) lone electron pair. Raman and infrared spectra at room temperature were recorded in the 500-100 and 4000-400 cm-1 frequency regions, respectively. This study confirms the presence of the organic cation [C6H18O]2+ and the bioctahedron [Bi2X10]4-. The calorimetric study shows that the title compound is stable until 384 K. © 2015 Akadémiai Kiadó, Budapest, Hungary.


Baldisserotto A.,Biotechnology Center | Ferretti V.,Center for Structural Diffractometry | Destro F.,University of Ferrara | Franceschini C.,Biotechnology Center | And 3 more authors.
Journal of Medicinal Chemistry | Year: 2010

Because of the encouraging results obtained using vinyl ester derivatives, we synthesized and tested a novel series of peptide-based proteasome inhibitors bearing a new pharmacophore unit at the C-terminal. N-Acylpyrrole moiety is a potential substrate for Michael addition by catalytic threonine. Several analogues have demonstrated a selective inhibition of the multicatalytic complex β1 subunits, the capacity to permeate cellular membrane, and good pharmacokinetics properties. © 2010 American Chemical Society.


Soudani S.,University of Carthage | Ferretti V.,Center for Structural Diffractometry | Jelsch C.,University of Lorraine | Lefebvre F.,ESPCI ParisTech | Ben Nasr C.,University of Carthage
Inorganic Chemistry Communications | Year: 2015

The chemical preparation, crystal structure and spectroscopic characterization of the novel noncentrosymmetric (S)nicotiniumtrichloridozincate monohydrate complex are reported. The atomic arrangement can be described as built up by chains of ZnNCl3 tetrahedra and water molecules, interconnected via O?H?Cl hydrogen bonds. The organic entities are inserted between these chains through C?H?Cl and N?H?Cl hydrogen bonds. The 3D Hirshfeld surfaces and the associated 2D fingerprint plots were investigated for intermolecular interactions. The 13C and 15N CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks. © 2015 Published by Elsevier B.V.

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