A Spectral and Structural Study of the New Cadmium Salt [(H2L)2][Cd2I6][(NO3)2]

2013 ◽  
Vol 68 (3) ◽  
pp. 272-276 ◽  
Author(s):  
Mohammad Hakimi ◽  
Zahra Mardani ◽  
Keyvan Moeini ◽  
Esther Schuh ◽  
Fabian Mohr
Keyword(s):  
Chair Conformation ◽  
Cyclohexene Oxide ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Ft Ir ◽  
Ir And Raman ◽  
Cadmium Salt

The reaction between 2-(piperazin-1-yl)ethanol and cyclohexene oxide under microwave irradiation gave 2-(4-(2-hydroxyethyl)piperazin-1-yl)cyclohexanol (L). The new cadmium salt [(H2L)2][Cd2I6][(NO3)2] (1) was prepared from the reaction of cadmium iodide with L and identified by elemental analysis, FT-IR and Raman spectroscopy, and single-crystal X-ray diffraction. In the crystal structure of 1, there is a [Cd2I6]2- dianion with distorted tetrahedral geometry for each cadmium atom. The piperazine and cyclohexane rings in 1 have a chair conformation. In the crystal there are several intermolecular hydrogen bonds including N-H···O, O-H···O, O-H···I, C-H···O, and C-H···I interactions.

Effect of Hydrated Metal Salts on the Coordination Product of Cobalt(II) halide and PNP Type Ligand, 2,6-bis(di-tertbutylphosphinomethyl) pyridine

2018 ◽  
Author(s):  
Tasneem Siddiquee ◽  
Abdul Goni
Keyword(s):  
Metal Salts ◽  
Molar Ratio ◽  
Pincer Complexes ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Pincer Ligand ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Cobalt Center

Chemical treatment of CoX<sub>2</sub><b><sup>. </sup></b>6H<sub>2</sub>O (X = Cl, Br, I) with the potentially tridentate PNP pincer ligand 2,6-bis(di-<i>tert</i>-butylphosphinomethyl)pyridine in 1:1 molar ratio results in cobalt(II) halide-PNP pincer complexes. The effect of the hydrated metal source on molecular structure and geometry of the complexes was studied by single crystal X-ray diffraction analysis. The complexes are neutral and the cobalt center adopts a penta-coordinate system with potential atropisomerization. Within the unit cell there are two distinct molecules per asymmetric unit. One of the two phosphorus atoms in the PNP ligand was observed to be partially oxidized to phosphinoxide. Disorder in the structure reflects a mixture of square pyramidal and distorted tetrahedral geometry.

scholarly journals Novel solid forms of the analgesic drug ethenzamide

2014 ◽  
Vol 70 (a1) ◽  
pp. C995-C995
Author(s):  
Duane Choquesillo-Lazarte ◽  
Cristóbal Verdugo-Escamilla ◽  
Juan Manuel García-Ruiz
Keyword(s):  
Polycrystalline Material ◽  
X Ray Diffraction ◽  
Analgesic Drug ◽  
X Ray ◽  
Solution Methods ◽  
Additional Stability ◽  
Ft Ir ◽  
Model Drug ◽  
Solid Form ◽  
Ir And Raman

The interest in multicomponent solid forms has increased in the last years within the pharmaceutical industry and also the solid-state community due to the possibility of obtaining materials with new properties [1]. Crystallization strategies, supported by solvent- and solid-based techniques, have also received attention in the search and development of methodologies for the screening of multicomponent crystals. In this work, ethenzamide, an anti-inflammatory and analgesic drug, was selected as a model drug to develop cocrystals on the basis of the synthon types using a series of phenolic coformers. Ethenzamide cocrystals and cocrystal solvates have been reported recently [2,3]. Liquid Assisted Grinding (LAG) and solution methods were used as synthetic tools. Attempts to produce cocrystals by LAG and Reaction Crystallization led to the formation of polycrystalline material. The solids obtained were then characterized by powder X-ray diffraction (PXRD), FT-IR and Raman spectroscopy. Recrystallization by slow solvent evaporation was carried out when the above-referred techniques strongly suggest the formation of a new solid form. The structure of five new multicomponent solids has been determined by single crystal X-ray diffraction. Additional stability studies have been performed at controlled relative humidity conditions and followed by PXRD.

scholarly journals Optical, Structural and Electrical Properties of Electrochemical Synthesis of Thin Film of Polyaniline

2018 ◽  
Vol 15 (1) ◽  
pp. 73-80 ◽  
Author(s):  
Baghdad Science Journal
Keyword(s):  
X Ray Diffraction ◽  
X Ray ◽  
Force Microscopy ◽  
Morphological Studies ◽  
Atomic Force ◽  
Vis Spectroscopy ◽  
Structural And Electrical Properties ◽  
A Cell ◽  
Ft Ir ◽  
Ir And Raman

Polyaniline membranes of aniline were produced using an electrochemical method in a cell consisting of two poles. The effect of the vaccination was observed on the color of membranes of polyaniline, where analysis as of blue to olive green paints. The sanction of PANI was done by FT-IR and Raman techniques. The crystallinity of the models was studied by X-ray diffraction technique. The different electronic transitions of the PANI were determined by UV-VIS spectroscopy. The electrical conductivity of the manufactured samples was measured by using the four-probe technique at room temperature. Morphological studies have been determined by Atomic force microscopy (AFM). The structural studies have been measured by (SEM).

Lewis acidity of group 14 elements toward intramolecular sulfur in ortho-aryl-thioanisoles

2003 ◽  
Vol 81 (11) ◽  
pp. 1388-1397 ◽  
Author(s):  
Teresita Munguia ◽  
Ioana S Pavel ◽  
Ramesh N Kapoor ◽  
Francisco Cervantes-Lee ◽  
László Párkányi ◽  
...  
Keyword(s):  
Self Assembly ◽  
Silicon Germanium ◽  
Lewis Acidity ◽  
X Ray Diffraction ◽  
Group 14 ◽  
Tetrahedral Geometry ◽  
Triclinic Crystal System ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Group 14 Elements

The series of compounds (o-CH3SC6H4)CH2EPh3 (E = Si (1), Ge (2), Sn (3), and Pb (4)) have been synthesized and characterized by NMR spectroscopy and by single crystal X-ray diffraction. Compounds 1 and 2 are isostructural with a triclinic crystal system and P-1 space group; however, morphotropic steps occur between Ge and Sn, and Sn and Pb. While the E-S distances in 1 and 2 are 3.985 and 3.974 Å, respectively, ~100% of the sum of the respective van der Waals (vdW) radii, there is a notable distortion from tetrahedral geometry about E. Compound 3 is also triclinic with P-1 symmetry, but has two molecules in the unit cell that demonstrate a distorted tetrahedral geometry and intramolecular Sn-S distances of 3.699 and 3.829 Å, 88% and 91% of the sum of the vdW radii. Compound 4 has a Pb-S distance of 3.953 Å (91% of Σ vdW radii). The structure of the Grignard coupling product [o-(SCH3)C6H4CH2]2 is also reported.Key words: intramolecular self-assembly, silicon, germanium, tin, lead, sulfur.

scholarly journals Comparison of Gelation Time and Polyalcohol Effect on Hydrogels from Domestic and Wild Silk Fibroins

2012 ◽  
Vol 2012 ◽  
pp. 1-6 ◽  
Author(s):  
Huijing Zhao ◽  
Siyong Xiong ◽  
Mingzhong Li ◽  
Qiang Zhang ◽  
Guiyang Liu
Keyword(s):  
Bombyx Mori ◽  
Silk Fibroin ◽  
Gelation Time ◽  
X Ray Diffraction ◽  
Antheraea Pernyi ◽  
X Ray ◽  
Silk Fibroins ◽  
Ft Ir ◽  
Additional Formation ◽  
Ir And Raman

Silk fibroin (SF) hydrogels were obtained from both domestic (Bombyx mori) and wild (Antheraea pernyi) silkworms from aqueous silk fibroin solutions at room temperature. The gelation time of theAntheraea pernyi(A. pernyi) SF solution was significantly shorter than that of theBombyx mori(B. mori) SF solution. The secondary structures of the two kinds of hydrogels were also compared. In order to further reduce the gelation time, various amounts of polyethylene glycol (PEG) were blended with the silk fibroins ofA. pernyiandB. mori. The gelation time of bothA. pernyiSF andB. moriSF decreased with the increased amount of PEG. After freeze-drying, the hydrogels were characterized through X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and Raman spectroscopy. Results showed that the addition of polyalcohol did not change the main secondary structure of the hydrogels. However, the addition of polyalcohol did reduce the gelation time and triggered additional formation ofβ-sheets.

scholarly journals Synthesis, Crystal Structures, Hirshfeld Surfaces Analysis and Physico-Chemical Characterization of Two New ZnII and CdII Halidometallates

2021 ◽  
Author(s):  
ali rayes ◽  
Manel moncer ◽  
Irene Ara ◽  
Dege Necmi ◽  
Brahim Ayed
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Chemical Characterization ◽  
Chair Conformation ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
3 Dimensional ◽  
Physico Chemical ◽  
Ft Ir

Abstract Two new organic-inorganic hybrid materials, based on 1,3-CycloHexaneBis-(Methyl Amine), abbreviated CHBMA, namely(H2CHBMA)ZnCl4.2H2O (CP1) and (H2CHBMA)CdI4.2H2O (CP2), have been synthesized under mild conditions in acidic media and characterized by single-crystal X-ray diffraction, spectroscopic techniques (13C NMR, FT-IR, RAMAN) and thermal analysis. The crystal structures of the two compounds were solved by single-crystal X-ray diffraction methods. Both compounds show a 3-dimensional supramolecular structure directed by various interactions between tetrahalidometallate anions (ZnCl42-, CdI42-), water molecule and organic cations (H2CHBMA)2+. For both compounds, the cyclohexane ring of the template cation is in a chair conformation with the methyl-ammonium substituent in the equatorial positions and the two terminal ammonium groups in a cis conformation but with two different orientations (upward for CP1 and downward for CP2) which influences the supramolecular architecture of the two structures. Hirshfeld surface analysis and the associated two-dimensional finger print plots were used to explore and quantify the intermolecular interactions in the crystals.

Preliminary Research on the Uptake Behavior of Ammonium Molybdophosphate for Cesium and the Corresponding Structural Transformation

2012 ◽  
Vol 535-537 ◽  
pp. 2191-2194 ◽  
Author(s):  
Zhao Ya Huang ◽  
Dong Zhang ◽  
Zhao Yi Tan
Keyword(s):  
Exchange Capacity ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ammonium Molybdophosphate ◽  
Before And After ◽  
Initial Ph ◽  
Negative Effect ◽  
Ft Ir ◽  
Ph Conditions ◽  
Ir And Raman

In this work, Ammonium Molybdophosphate (AMP) was synthesized and the adsorption of Cs onto it under different initial pH conditions was investigated. The results show the negative effect of the hydronium and hydroxyl irons on the uptake of Cs while the iron-exchange capacity can reach 144.8 mg/g. In addition, the structure differences between AMP samples before and after Cs adsorption were examined by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and Raman technique. The results show that the Keggin structure of AMP stayed unchanged while new bonds arose after the Cs adsorption.

scholarly journals Triphenyltin Ortho-Aminophenyl- and 2-Pyridyl-Thiolates: Synthesis and In Vitro Antitumour Activity

1996 ◽  
Vol 3 (2) ◽  
pp. 75-78 ◽  
Author(s):  
Marcel Gielen ◽  
Abdeslam Bouhdid ◽  
Edward R. T. Tiekink ◽  
Dick de Vos ◽  
Rudolph Willem
Keyword(s):  
Cell Lines ◽  
Antitumour Activity ◽  
Spectroscopic Characterization ◽  
X Ray Diffraction ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Monodentate Coordination

The synthesis, spectroscopic characterization and in vitro antitumour activity of two triorganotin compounds, triphenyltin ortho-aminophenylthiolate (1) and triphenyltin 2-pyridylthiolate, compound (2) are reported. The structure of 1 is confirmed by X-ray diffraction, with the tin atom in a distorted tetrahedral geometry because of monodentate coordination, as a thiolate (Sn-S 2.431(2) Å), of the ortho-aminophenylthiolate ligand. The in vitro antitumour activities of 1 and 2, against a number of cell lines, are comparable to those exhibited by methotrexate and doxorubicin, and higher than those of carboplatin and cisplatin.

Synthesis, Characterization and Dielectric Properties of Mn(2-x)ZnxP2O7 Ceramics

2013 ◽  
Vol 802 ◽  
pp. 12-16
Author(s):  
Manoon Sutapun ◽  
Rangson Muanghlua ◽  
Surasak Niemcharoen ◽  
Wanwilai C. Vittayakorn ◽  
Panpailin Seeharaj ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Monoclinic Phase ◽  
Ion Concentration ◽  
X Ray Diffraction ◽  
X Ray ◽  
Manganese Zinc ◽  
Ft Ir ◽  
Ir And Raman ◽  
Sintering Method ◽  
Scanning Electron

Manganese zinc pyrophosphate (Mn(2-x)ZnxP2O7 when x = 0.0, 0.5, 1.0, 1.5 and 2.0) ceramics were fabricated by conventionally mixing oxide using the normal sintering method. The samples were characterized by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), Raman spectroscopy and scanning electron microscopy (SEM). The XRD results indicated that synthesized Mn(2-x)ZnxP2O7 systems have a pure monoclinic phase without the presence of phase impurities. The lattice parameters and crystalline sizes analyzed from XRD data were changed depending on the amount of added Zn2+ ion concentration in the Mn2P2O7 structure. The FT-IR and Raman results showed the fundamental vibrations of P2O74-ion and Mn-O or Zn-O, which confirmed the Mn(2-x)ZnxP2O7 formation. In addition, dielectric stability of temperature and frequency was observed in the composition, x = 1.0, with a dielectric constant value of 11.5 at 1 MHz.

scholarly journals (E,E)-3-Methyl-2,5-bis(4-methylbenzylidene)cyclopentanone: synthesis, characterization, Hirshfeld surface analysis and antibacterial activity

2019 ◽  
Vol 75 (4) ◽  
pp. 506-511
Author(s):  
Fatiha Mahdi ◽  
Assia Sid ◽  
Rafika Bouchene ◽  
Paul Mosset ◽  
Thierry Roisnel
Keyword(s):  
Surface Analysis ◽  
New Product ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Ir ◽  
Non Covalent Interactions ◽  
Covalent Interactions ◽  
Ir And Raman

The title compound, (E,E)-3-methyl-2,5-bis(4-methylbenzylidene)cyclopentanone (MBMCP), C22H22O, was obtained by Claisen–Schmidt condensation of 4-methylbenzaldehyde with 3-methylcyclopentanone in good yield. The structure of MBMCP was studied using UV, FT–IR and Raman spectroscopy, single-crystal X-ray diffraction (XRD) measurements, and 1H and 13C nuclear magnetic resonance (NMR) spectroscopy. The molecular structure of MBMCP is fully extended in the E,E configuration. C—H...π stacking interactions play a significant role in the stabilization of the molecular packing. Hirshfeld surface analysis was used to quantify the non-covalent interactions in the crystal lattice. Microbiological studies were performed to investigate the antimicrobial activity of this new product.

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