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Fossato di Vico, Italy

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. Source


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. Source


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. Source


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. Source


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. Source

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