Mohamed Belhouchet

Crystal structure, vibrational studies, optical properties and DFT calculation of bis 2-aminobenzothiazolium tetrachloridocuprate.

The zero dimensional organic-inorganic hybrid compound (C7H7N2S)2CuCl4 was synthesized and characterized by X-ray diffraction, infrared absorption, Raman spectroscopy scattering and optical transmission measurements. The title compound crystallizes in the monoclinic system with P21/c space group. The unit cell parameters are a=7.060 (5) Å, b=9.748 (5) Å, c=14.037 (5) Å, β=98.520 (5)° and Z=2. The copper (II) ion has square planar coordination environment and the structure is built up from isolated [CuCl4](2)(-) anion surrounded by organic cations connected together via N-H⋯Cl hydrogen bonding. Room temperature IR and Raman spectra of the title compound were recorded and analyzed. The theoretical geometrical parameters in the ground state have been investigated by density functional theory (DFT) with the B3LYP/LanL2DZ level of theory. The organic-inorganic hybrid crystal thin film can be easily prepared by spin-coating method from the ethanol solution of the (C7H7N2S)2CuCl4 compound and it showed characteristic absorptions of Cu-Cl based layered perovskite centered at 288 and 400 nm.

Crystal structure, vibrational studies and optical properties of a new organic–inorganic hybrid compound (C10H28N4)CuCl5Cl⋅4H2O

A new organic-inorganic hybrid material, 1,4-bis(3-ammoniumpropyl) piperazinium pentachloridocuprate(II) chloride tetrahydrate [(C₁₀H₂₈N₄)CuCl₅Cl⋅4H₂O], has been synthesized and characterized by X-ray diffraction, UV-visible absorption, Infrared and Raman spectroscopy. The compound crystallizes in the orthorhombic system and Pnma space group with a=8.18 (3)Å, b=10.96 (5)Å, c=21.26 (9)Å, V=2254.3 (15)Å(3). In this structure, the Cu(2+) ion, surrounded by five chlorides, adopts the square pyramidal coordination geometry. The structure of this compound consists of tetraprotonated 1,4-bis(3-ammoniumpropyl) piperazinium cations and the anionic sublattice is built up of isolated, square pyramid [CuCl₅](3)(-) units, chloride ion Cl(-) and water molecules connected with each other by hydrogen bonds. Organic and inorganic entities are interconnected by means of hydrogen bonding contacts [NH⋯O(Cl), O(W)H⋯Cl and O(W)H⋯O]. Furthermore, the room temperature IR and Raman spectra of the title compound were recorded and analyzed on the basis of literature data. The optical study was also investigated by UV-Vis absorption. In fact, the organic-inorganic hybrid crystal thin film can be easily prepared by spin-coating method from the ethanol solution of the (C₁₀H₂₈N₄)CuCl₅Cl⋅4H₂O hybrid compound and it showed absorptions characteristics of CuCl based layered compounds centered at 275 and 374 nm.

Synthesis, Crystal Structure, and Characterization of a New Adduct 3-Ammoniumphenyl Sulfone Dihydrogenphosphate Phosphoric Acid [C12H14N2SO2](H2PO4)2H3PO4

Abstract A new adduct 3-ammoniumphenyl sulfone dihydrogenphosphate phosphoric acid, [C12H14N2O2S](H2PO4)2H3PO4, has been synthesized by slow evaporation at room temperature using 3-aminophenyl sulfone as the structure-directing agent. The structure, determined by single-crystal X-ray diffraction at 293 K, can be described as inorganic layers built by H2PO4 − groups and H3PO4 molecules, parallel to the (a, c) planes at y = 0.5, between which molecules of the organic group [C12H14N2O2S]2+ are inserted. In this atomic arrangement, hydrogen bonds and van der Waals interactions between the different species play an important role in the tri-dimensional network cohesion. Solid-state 13C and 31P MAS NMR spectroscopies are in agreement with the X-ray structure. [Supplemental materials are available for this article. Go to the publishers online edition of Phosphorus, Sulfur, and Silicon and the Related Elements for the following free supplemental resource: Tables S1 and S2. Figures S1 and S2.] GRAPHICAL ABSTRACT

Synthesis, Crystal Structure, and Characterization of A New Adduct Bis-(2-Amino-3-Benzyloxypyridinium) Selenate Monohydrate [C12H13N2O]2SeO4.H2O

Abstract A new adduct bis-(2-amino-3-benzyloxypyridinium) selenate monohydrate, [C12H13N2O]2SeO4.H2O, has been synthesized by slow evaporation at room temperature using 2-amino-3-benzyloxypyridine as the structure-directing agent. The structure, determined by single-crystal X-ray diffraction at 298 K, can be described as organic-inorganic tunnels with different forms built by infinite inorganic chains parallel to the c axis and connected to the organic cations. In this atomic arrangement, hydrogen bonds and van der Waals interactions between the different species play an important role in the tri-dimensional network cohesion. Solid-state 13C and 77Se MAS NMR spectroscopy results are in agreement with the X-ray structure. [Supplementary materials are available for this article. Go to the publishers online edition of Phosphorus, Sulfer, and Silicon and the Related Elements for the following free supplemental files: Additional figures and tables.] GRAPHICAL ABSTRACT

Synthesis and crystal structure of 3-ammoniumphenyl sulfone selenate, 3-aminophenyl sulfone [C12H14N2O2S]SeO4 · [C12H12N2O2S]

The crystal structure of [C12H14N2O2S]SeO4 · [C12H12N2O2S] was determined by X-ray diffraction on single crystal. Crystals are orthorhombic, space group Pbca, with cell parameters a = 11.545 (1), b = 8.143 (1), c = 55.783(1)Å, V = 5244.2 (8)Å3 and Z = 8. The structure can be described as organic layers built by [C12H14N2O2S]2+ cations and [C12H12N2O2S] molecules, parallel to ab plane, between which the inorganic groups SeO42− are inserted. In this atomic arrangement, H-bonds between the different species play an important role in the three-dimensional network cohesion.The crystal structure of [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]SeO{sub 4} {center_dot} [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S] was determined by X-ray diffraction on single crystal. Crystals are orthorhombic, space group Pbca, with cell parameters a = 11.545 (1), b = 8.143 (1), c = 55.783(1)A, V = 5244.2 (8)A{sup 3} and Z = 8. The structure can be described as organic layers built by [C{sub 12}H{sub 14}N{sub 2}O{sub 2}S]{sup 2+} cations and [C{sub 12}H{sub 12}N{sub 2}O{sub 2}S] molecules, parallel to ab plane, between which the inorganic groups SeO{sub 4}{sup 2-} are inserted. In this atomic arrangement, H-bonds between the different species play an important role in the three-dimensional network cohesion.

Synthesis, Crystal Structure, and Characterization of A New Hydrogen Phosphate Templated By 3-Aminophenyl Sulfone

Abstract The synthesis and crystal structure of a new noncentosymmetric compound with the general formula: [C48H51N8O8S4](HPO4)H2PO4 are reported. The structure, determined by single-crystal X-ray diffraction at 150 K can be described as organic layers [C48H51N8O8S4]3+ parallel to the (a and c) plane between which the inorganic groups consisting of H2PO4 − and HPO4 2− entities are inserted as inorganic layers. In this atomic arrangement, H-bonds and Vander-Waals interactions between the different species play an important role in the tridimensional network cohesion. Solid-state 13C and 31P MAS NMR spectroscopies are in agreement with the X-ray structure. Supplemental materials are available for this article. Go to the publishers online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. GRAPHICAL ABSTRACT

Structural characterization, vibrational studies and electrical properties of 2-amino-3-benzyloxy pyridinium perchlorate

A title organic-inorganic hybrid material 2-amino-3-benzyloxy pyridinium perchlorate was synthesized by slow evaporation at room temperature using 2-amino-3-benzyloxypyridine as the structure-directing agent. The structure of the title compound was determined by means of single-crystal X-ray diffraction at 293 K. The results show that this compound crystallizes in the centrosymetric monoclinic system with a space group of P21/n and lattice parameters of a=0.7025(5) nm, b=1.2635(5) nm, c=1.5766(5) nm, Z=4 and V=1.3905(2) nm3. The crystal structure has been determined and refined to R1=0.0367 and wR2=0.1022 using 2326 independent reflections and can be described as a succession of organic and inorganic layers parallel to the bc plane. In this arrangement, hydrogen bonds and van der Waals interactions between different species play an important role in the two-dimensional(2D) network cohesion. This compound was also characterized by means of infrared spectroscopy, Raman spectroscopy and thermogravimetric analysis-differential thermal analysis(TG-DTA). Moreover, protonic conduction of this compound determined by an impedance analyzer has been studied in the temperature range of 303―373 K.

A Novel Synthesis of (Z)-ethyl 3-amino-2-cyano-3-phenyl(or alkyl)acrylate and ethyl- 2-cyano-3-phenyl-3-propionylimino-propanoate

Reaction between ethyl cyanoacetate and imidate, N-acetyl imidate and N-ethoxycarbonyl imidate in basic medium are student. The structure and geometrically configuration of (Z)-ethyl 3-amino-2-cyano-4-phenylbut-2-enoate 3c was established by X-ray diffraction. The functionality in ethyl 2-cyano-3-(ethoxycarbonyl)-3-p-tolylacrylate 7b was exploited to get the desired heterocycle.

Synthesis and crystal structure of 3-ammonium-4-hydroxyphenyl sulfonate hemihydrate

The crystal structure of 3-ammonium-4-hydroxyphenyl sulfonate hemihydrate C6H3(NH3)(OH)SO3 · 0.5H2O is determined by single-crystal X-ray diffraction. The unit cell parameters are as follows: a = 11.2395(3), b = 10.3814(3), c = 13.7509(4) Å, β = 100.326(1)°, V = 1578.49(8) Å3, space group P21/n, Z = 4. The crystal structure can be described us a succession of infinite corrugated layers parallel to ab plane. These layers consist of rings formed by four sulfonate molecules located around a center of symmetry. The rings are connected to each other and to water molecules via O-H...O hydrogen bonds. The structure is further stabilized by π-π interactions between phenyl rings of organic entities of successive layers.

Synthesis and crystal structure of bis(3-ammoniumphenyl) sulfone dinitrate [C12H14N2O2S](NO3)2

A new organic nitrate with the formula [C12H14N2O2S](NO3)2, has been prepared and analyzed by X-ray diffraction. This compound crystallizes in the orthorhombic system: a = 16.771 (3), b = 13.884(2), c = 13.884(2) Å, V = 3232.7(7)Å3, Z = 8, space group Pna21. Crystal structure can be described as a succession of organic and inorganic layers parallel to b, c plane. H-bonds between the different species play an important role in the three-dimensional network cohesion.