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Zouaoui Setifi Mehdi Boutebdja Fatima Setifi Hocine Merazig Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(7):702-706
In the title compound, catena‐poly[bis[(2,2′‐bipyridine‐κ2N,N′)(1,1,3,3‐tetracyano‐2‐ethoxypropenido‐κN)copper(II)]‐μ4‐hexanedioato‐κ6O1,O1′:O1:O6,O6′:O6], [Cu2(C9H5N4O)2(C6H8O4)(C10H8N2)2]n, the adipate (hexanedioate) dianion lies across a centre of inversion in the space group P. The CuII centre adopts a distorted form of axially elongated (4+2) coordination, and the CuII and adipate components form a one‐dimensional coordination polymer from which the 2,2′‐bipyridine and 1,1,3,3‐tetracyano‐2‐ethoxypropenide components are pendent, and where each adipate dianion is bonded to four different CuII centres. The coordination polymer chains are linked into a three‐dimensional framework structure by a combination of C—H...N and C—H...O hydrogen bonds, augmented by a π–π stacking interaction. 相似文献
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Mezhoud Bilel Bouchouit Mehdi Said Mohamed Elhadi Messaadia Lyamine Belfaitah Ali Merazig Hocine Chibani Aissa Bouacida Sofiane Bouraiou Abdelmalek 《Research on Chemical Intermediates》2016,42(10):7447-7470
A ligand, 2-((benzo[d]thiazol-2-ylthio)methyl)-1H-benzo[d]imidazole, and its zinc complex have been synthesized. The structure of these compounds have been determined by spectroscopic techniques and single crystal X-ray diffraction. The corrosion inhibition study of these compounds for steel in 0.5 M H2SO4 medium has also been investigated using potentiodynamic polarization and EIS techniques. The quantum calculations were applied to investigate the relationship between the electronic properties and the corrosion inhibition efficiency of the two benzazoles derivatives. Surface analysis (XRF) indicated that the rust layer formed on the Cu-containing steels was enriched with Cu compounds. Polarization curves revealed that both inhibitors acted as a mixed-type inhibitor. 相似文献
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M. Nilofar Nissa P. G. Aravindan V. Kasinath G. Gopalakrishnan H. Merazig D. Velmurugan 《Crystal Research and Technology》2004,39(7):643-649
The title compounds (I) and (II) crystallize in the monoclinic space group P21/c and orthorhombic space group Pbca respectively. The inter‐planar angle between the two phenyl rings are 55° in I and 24.5(1)° in II. The molecular packing of the compounds I and II are stabilized by C‐H…O and C‐H…π, and N‐H…O, C‐H…O and C‐H…π interactions, respectively. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
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Nardjes Mouas Toma Jean‐Claude Daran Hocine Merazig Eric Manoury 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(5):460-464
In our ongoing development of ferrocene ligands, 1‐dimethylamino‐2‐(diphenylphosphinothioyl)ferrocene is being used as a convenient building block to obtain racemic or enantiomerically pure ligands. Using this building block in large excess allowed the formation of several by‐products, two of which have already been reported; the structure of a third by‐product, namely 1‐(diphenylphosphinothioyl)‐2‐{[(diphenylphosphinothioyl)sulfanyl]methyl}ferrocene, [Fe(C5H5)(C30H25P2S3)], is presented here. The crystal structure is built up from a ferrocene unit, with one of the cyclopentadienyl (Cp) rings substituted in the 1‐ and 2‐positions by a protected diphenylphosphinothioyl group and a [(diphenylphosphinothioyl)sulfanyl]methyl fragment, –CH2SP(=S)Ph2. There are C—H...S interactions which result in the formation of chains parallel to the c axis. After desulfurization, the crude material was then reacted with Pd and Pt (M) precursors [MCl2(CH3CN)2] to yield two isostructural dinuclear complexes arranged around twofold axes, namely (R,R/S,S)‐bis{μ‐[2‐(diphenylphosphanyl)ferrocen‐1‐yl]methanethiolato‐κ3P,S:S}bis[chloridopalladium(II)] pentane disolvate, [Pd2{Fe(C5H5)(C18H15PS)}2Cl2]·2C5H12, and the platinum(II) analogue, (R,R/S,S)‐bis{μ‐[2‐(diphenylphosphanyl)ferrocen‐1‐yl]methanethiolato‐κ3P,S:S}bis[chloridoplatinum(II)] toluene monosolvate, [Pt2{Fe(C5H5)(C18H15PS)}2Cl2]·C7H8, in which the two metal atoms present a slightly distorted square‐planar geometry formed by two bridging S atoms and P and Cl atoms. The P,S‐chelating ligand results from the rupture of one of the P—S bonds in the starting ligand. These dinuclear complexes display a butterfly geometry. Surprisingly, only the (R,R/S,S) diastereoisomer has been isolated. 相似文献
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Mohamed Al Amine Benhacine Malika Hamadne Sofiane Bouacida Hocine Merazig 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(3):243-250
The oxalate dianion is one of the most studied ligands and is capable of bridging two or more metal centres and creating inorganic polymers based on the assembly of metal polyhedra with a wide variety of one‐, two‐ or three‐dimensional extended structures. Yellow single crystals of a new mixed‐metal oxalate, namely catena‐poly[[diaquasodium(I)]‐μ‐oxalato‐κ4O1,O2:O1′,O2′‐[diaquairon(III)]‐μ‐oxalato‐κ4O1,O2:O1′,O2′], [NaFe(C2O4)2(H2O)4]n, have been synthesized and the crystal structure elucidated by X‐ray diffraction analysis. The compound crystallizes in the noncentrosymmetric space group I41 (Z = 4). The asymmetric unit contains one NaI and one FeIII atom lying on a fourfold symmetry axis, one μ2‐bridging oxalate ligand and two aqua ligands. Each metal atom is surrounded by two chelating oxalate ligands and two equivalent water molecules. The structure consists of infinite one‐dimensional chains of alternating FeO4(H2OW1)2 and NaO4(H2OW2)2 octahedra, bridged by oxalate ligands, parallel to the [100] and [010] directions, respectively. Because of the cis configuration and the μ2‐coordination mode of the oxalate ligands, the chains run in a zigzag manner. This arrangement facilitates the formation of hydrogen bonds between neighbouring chains involving the H2O and oxalate ligands, leading to a two‐dimensional framework. The structure of this new one‐dimensional coordination polymer is shown to be unique among the AIMIII(C2O4)2(H2O)n series. In addition, the absorption bands in the IR and UV–Visible regions and their assignments are in good agreement with the local symmetry of the oxalate ligand and the irregular environment of iron(III). The final product of the thermal decomposition of this precursor is the well‐known ternary oxide NaFeO2. 相似文献
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Zouaoui Setifi Fatima Setifi Lahcen El Ammari Malika El‐Ghozzi Jana Sopkov‐de Oliveira Santos Hocine Merazig Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(1):19-22
In the title compound, [Cu(C9H5N4O)Cl(C12H8N2)]n or [Cu(tcnoet)Cl(phen)]n, where phen is 1,10‐phenanthroline and tcnoet is 1,1,3,3‐tetracyano‐2‐ethoxypropenide, the axially elongated (4 + 2) coordination polyhedron around the CuII centre contains N atoms from three different tcnoet ligands. The resulting coordination polymer takes the form of sheets which are linked in pairs by a single C—H...N hydrogen bond to form bilayers. The bond lengths provide evidence for significant bond fixation in the phen ligand and extensive electronic delocalization in the tcnoet ligand, where the two –C(CN)2 units are rotated, in conrotatory fashion, out of the plane of the central C3O fragment. 相似文献
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Mössbauer spectroscopy can be a useful structural tool to assist crystallographic methods for site assignment when the compound under investigation contains divalent tin. The goal of this work was to show that the structure of tin(II) fluoride, also know as stannous fluoride, SnF2, could have been solved 14 years earlier if Mössbauer spectroscopic results, already known, had been used. A first attempt to solve the crystal structure, carried out by Bergerhoff in 1962 seemed to find the tin positions, however, it failed to find the positions of fluorine. Further extensive studies by Dénès et al. in the mid 1970s yielded the same results as those of Bergerhoff, despite the use of a Nonius CAD-4 automatic diffractometer, in contrast with Bergerhoff’s film work. The tin positions yielded a residual of 0.23, and Fourier difference maps showed significant electron density that could be fluorine atoms, however, their number did not match the number of fluorine atoms expected and several F-F distances were way too short. In addition, refinement using these possible fluorine positions led to no improvement of the residual factor. Finally, the crystal structure was published by McDonald et al. in 1976. It was found that the tin sublattice determined by Bergerhoff was basically correct, except that half of the tin atoms found by Bergerhoff to be on the (4b) and (4e) special Wyckoff sites were actually on the (8f) general site. A translation of the origin of the unit-cell by the [1/8, 0, 3/16] vector allows to change the tin Wyckoff sites from (4b), (4e) and (8f) to two (8f) sites, while keeping the basic spatial distribution of tin. A method has now been designed, using 119Sn Mössbauer spectroscopy, to test the suitability of some Wyckoff sites for divalent tin, using the Mössbauer spectrum. The tin(II) doublet (δ = 3.430(3) mm/s, Δ = 1.532(3) mm/s) shows that the lone pair is on a hybrid orbital, therefore, it is stereoactive, and it results that tin cannot be on either the (4b) or (4e) tin site since both an inversion center and a 2-fold axis would generate a second lone pair unless the 2-fold axis were along the tin-lone pair axis. 相似文献