scholarly journals Synthesis, Characterization and Crystal Structure of Samarium(III)-(E)-1-phenyl-N-(4H-1,2,4-triazol-4-yl)methanimine Complex

2021 ◽  
pp. 87-94
Keyword(s):  
Schiff Base ◽  
Chemical Structure ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Form Hydrogen Bond ◽  
X Ray ◽  
Mass Spectral ◽  
Cell Parameters ◽  
Ft Ir ◽  
Coordination Water

Samarium-benzylidene Schiff base adduct with the formula [Sm(NO3)3(H2O)3].2L (L= (E)-1-phenyl-N-(4H-1,2,4-triazol-4-yl) methanimine) (1) has been prepared, with two water molecules bonded to the samarium center form hydrogen bond with three molecules of title Schiff base through nitrogen atoms of the triazole rings. The chemical structure was confirmed by means of single-crystal X-ray diffraction (scXRD), FT-IR, electrical conductivity, thermogravimetric analysis (TGA), mass spectrometry and elemental analysis. The title complex 1 crystallizes in the triclinic P-1 space group. The unit cell parameters are a = 10.4045(1) Å, b = 12.5403(1) Å, c = 12.5477(2) Å,  = 96.668(1)o,  = 110.810(1)o,  = 111.567(1)o, V = 1.788 Å3, Z = 2, Rgt(F) = 0.0223, wRref(F2) = 0.0576. The samarium ion is in a distorted capped square antiprism environment, coordinated by three bidentate nitrates and three coordination water molecules. The [Sm(H2O)3(NO3)3] complex and the (E)-1-phenyl-N-(4H-1,2,4-triazol-4-yl)methanimine) moiety (L) are held together via hydrogen interactions to form a 2-D supramolecular framework. It is a non-electrolyte as indicated by its molar conductivity (ΛM= 10.1 S cm2 mol-1) in MeOH at 1.0 mM. The mass spectral results confirm the suggested structure of the investigated adduct.

Structural Study of a new Compound Based on Acid 1,4-Cyclohexanedicarboxylic (1,4-CDC)

2010 ◽  
Vol 6 (1) ◽  
pp. 891-896
Author(s):  
Manel Halouani ◽  
M. Dammak ◽  
N. Audebrand ◽  
L. Ktari
Keyword(s):  
Aqueous Solution ◽  
Water Molecules ◽  
Carboxyl Group ◽  
X Ray Diffraction ◽  
Compound I ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Cyclohexanedicarboxylic Acid

One nickel 1,4-cyclohexanedicarboxylate coordination polymers, Ni2 [(O10C6H4)(COO)2].2H2O  (I), was hydrothermally synthesized from an aqueous solution of Ni (NO3)2.6H2O, (1,4-CDC) (1,4-CDC = 1,4-cyclohexanedicarboxylic acid) and tetramethylammonium nitrate. Compound (I) crystallizes in the monoclinic system with the C2/m space group. The unit cell parameters are a = 20.1160 (16) Å, b = 9.9387 (10) Å, c = 6.3672 (6) Å, β = 97.007 (3) (°), V= 1263.5 (2) (Å3) and Dx= 1.751g/cm3. The refinement converged into R= 0.036 and RW = 0.092. The structure, determined by single crystal X-ray diffraction, consists of two nickel atoms Ni (1) and Ni (2). Lots of ways of which is surrounded by six oxygen atoms, a carboxyl group and two water molecules.

New Method of Preparation and Property Study of the Montmorillonite Modified with CTAB

2011 ◽  
Vol 284-286 ◽  
pp. 377-381
Author(s):  
Ji Chu Zhang ◽  
Ze Peng Zhang ◽  
Bo Hu ◽  
Gang Liu
Keyword(s):  
Contact Angle ◽  
Ammonium Bromide ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Hydrophobic Property ◽  
X Ray ◽  
Structure And Property ◽  
Organic Components ◽  
Ft Ir ◽  
Better Than

In this paper, Ca2+-montmorillonite (Ca2+-Mt) was modified with cationic surfactant hexadecyl trimethyl ammonium Bromide (CTAB) directly, without changing Ca2+-Mt into Na+-montmorillonite (Na+-Mt). X-ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR), contact angle tests and rotary viscosity tests were used to characterize the structure and property of the organo-montmorillonite. The results of XRD show that interlayer space (d001) of the product is 4.05nm. The results of TGA indicate the ratio of weight loss of the organic components in the product is 37.7%. The results of FT-IR indicate there are organic components and hardly any water molecules in the product. All these findings indicate that the CTAB has intercalated into the galleries of Ca2+-Mt. Contact angle tests shows the product is well hydrophobic and the hydrophobic property is as good as that of organo-montmorillonite modified from Na+-Mt. Rotary viscosity tests show that the viscosity of the product at the rotational speed of 6R/min is 1226mPa·s, much better than that of the organo- montmorillonite modified from Na+-Mt which is 1070 mPa·s. The thixotropy index of the product is 9.22, much better than that of the organo-montmorillonite modified from Na+-Mt which is 5.88. It can be concluded that organo-montmorillonite with perfect interlayer expansion and thixotropic property was prepared by modifying Ca2+-Mt with CTAB directly.

Synthesis, Characterization and X-Ray Crystal Structure of the New Schiff Base and Anticandidal Evaluation

2019 ◽  
Vol 41 (6) ◽  
pp. 1090-1090
Author(s):  
Mehmet Poyraz Mehmet Poyraz ◽  
Musa Sari Musa Sari ◽  
Halil Berber Halil Berber ◽  
Nursenem Karaca and Fatih Demirci Nursenem Karaca and Fatih Demirci
Keyword(s):  
Schiff Base ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
Microdilution Method ◽  
Broth Microdilution Method ◽  
Ft Ir ◽  
Anticandidal Activity ◽  
Crystal Structural

A new Schiff base, namely 2-methoxy-6-((2-(4 nitrophenyl) hydrazineylidene) methyl)phenol was synthesized and characterized by melting points, elemental analysis, thermogravimetric analysis and spectroscopic techniques (FT-IR, 1H-NMR and UV-VIS spectra). The chemical structure of compound was further confirmed by single crystal structural X-ray diffraction. The Schiff base is crystallized in the triclinic space group P-1. In the crystal, molecules are linked by O-H…O hydrogen bonds between the hydroxy “-O-” atom and the methoxy “-O-” atom. Furthermore, the synthesized Schiff base was tested for the in vitro anticandidal activities using CLSI broth microdilution method against human pathogenic Candida albicans, C. parapsilosis and C. krusei standard strains. In the anticandidal activity test results, the new Schiff base was found to be effective at 1 mg/mL - 0.25 mg/mL concentrations. (The last line omitted) (The sentence marked in red will be deleted)

scholarly journals Growth and Characterization of Pure and Doped L-Alanine Tartrate Single Crystals

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
K. Rajesh ◽  
B. Milton Boaz ◽  
P. Praveen Kumar
Keyword(s):  
Single Crystals ◽  
Vickers Microhardness ◽  
Diffraction Method ◽  
Dielectric Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

Single crystals of pure and Lanthanum doped L-Alanine Tartrate were grown by slow evaporation method. The cell parameters were determined using single crystal X-ray diffraction method. To improve the physical properties of the LAT crystal, Lanthanum dopant was added by 2 mol%. ICP studies confirm the presence of Lanthanum in the grown LAT crystal. Transparency range of the crystal was determined using UV-VIS-NIR spectrophotometer. The functional groups of pure and doped LAT crystals were analyzed by FT-IR spectroscopy. Using Vickers microhardness tester, mechanical strength of the material was found. Dielectric studies of pure and doped LAT single crystals were carried out. The doped LAT crystal is found to have efficiency higher than that of pure LAT crystal.

scholarly journals Synthesis, Spectral and Thermal Studies, and Crystal Structure of cis-Bis(4-methylimidazole)bis(picolinato)copper(II) [Cu(pic)2(4-MeIm)2]

2006 ◽  
Vol 61 (10) ◽  
pp. 1217-1221 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Keser ◽  
C. Cüneyt Ersanli ◽  
O. Zafer Yeşilel ◽  
Nazan Ocak
Keyword(s):  
Thermal Studies ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Triclinic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
In Cis ◽  
Hydrogen Bondings

The mixed-ligand picolinato (pic) complex of Cu(II) with 4-methylimidazole (4-MeIm), [Cu(pic)2(4-MeIm)2], was synthesized and characterized by elemental analysis, magnetic susceptibility, spectroscopic methods (UV/vis and FT-IR) and X-ray diffraction. In the slightly distorted octahedral cis-bis(4-methylimidazole)bis(picolinato)copper(II) complex, the pic ligands are coordinated to the Cu(II) ion as bidentate N,O-donors forming chelate rings. The 4-MeIm ligands are N-coordinated in cis positions. The complex crystallizes in the triclinic space group p̅1 with unit cell parameters a = 9.204(5), b = 9.498(5), c = 13.095(5) Å , α = 90.395(5), β = 101.687(5), γ = 112.291(5)° and Z = 2. Hydrogen bondings and C-H ··· π interactions occur between picolinato and methylimidazole ligands of neighboring complex molecules. The thermal decomposition of the complex is described.

scholarly journals KARAKTERISASI ABU KAYU MERBAU (Intsia, spp.): PENGARUH TEMPERATUR DAN LAMA KALSINASI

2019 ◽  
Vol 15 (1) ◽  
pp. 30-38
Author(s):  
Darma Santi ◽  
Jacson Victor Morin
Keyword(s):  
Calcination Temperature ◽  
Wood Ash ◽  
Hexagonal Structure ◽  
Rhombohedral Structure ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Ir ◽  
Cubic Structure

Characterization of merbau wood ash (Intsia, spp.) due to the influence of temperature and time of calcination has been studied. The variations in calcination temperature were 500 ᴼC (as M500) and 600 ᴼC (as M600), while the variations in the duration of calcination were 1, 2, and 3 hours, noted as M1, M2, and M3, respectively. Characterization was carried out using X-ray diffraction (XRD) and spectroscopic analysis using FT-IR. XRD results identified the presence of CaCO3 species (rhombohedral structure) and K2Si4O9 species with a hexagonal structure on M500. The M600 species identified Si (cubic structure), SiO2 (cubic structure), K2Si4O9 (hexagonal structure), and CaCO3 (rhombohedral structure). In general, the calcination temperature increases the crystallinity of several compounds contained in merbau wood ash. The length of time calcination reduces the absorption peak due to the decomposition and adsorption reactions of the presence of water molecules bound to the ash material of merbau wood (Intsia, spp).

scholarly journals Different Polyoxometalate Structures Obtained from the Na11H[H(2-x)Bi2W20O70(HWO3)x]·46H2O(x=1.4).

2018 ◽  
Vol 1 (2) ◽  
pp. 93-100
Author(s):  
Suhair Atta
Keyword(s):  
Single Crystal ◽  
Self Assembly ◽  
Multiple Testing ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Space Groups ◽  
Cell Parameters ◽  
New Family ◽  
Ft Ir

In the supramolecular chemistry world, Polyoxometalates (POMs) are considered as a new family of inorganic molecular containers, construct itself by self-assembly reaction from very small units, to form a cluster with unique structural and properties. three structures reported in this paper - differ in their unit cell parameters and also differ from the well-known - as the result of reaction of the Na11H[H(2- x)Bi2W20O70(HWO3)x]·46H2O (x=1.4) with Ca ion at different pH conditions. These structures are [Ca(H2O)7]2[Na(H2O)2]2[HBi2W20O70(HWO3)].14H2O(1), H2[NH4]10[HBi2W20O70(HWO3)] (2), and [NH4]6[Na(H2O)4]2[Ca(H2O)4]2[W12O42].2H2O (3). The last one is bismuth-free and it is formed through reassembly of the precursor. Full structural characterization was made by multiple testing techniques such as single-crystal X-ray diffraction, UV-visible spectroscopy, FT-IR, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS). The single-crystal X-ray diffraction results for the three compounds are as follows:(1), Triclinic, space group P-1, while (2) and (3) crystallize in monoclinic space groups C2/m and P21/n respectively.

Single-Crystal Structures and Vibrational Spectra of Li[SCN] and Li[SCN] · 2H2O

2014 ◽  
Vol 69 (1) ◽  
pp. 17-24 ◽  
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Björn Blaschkowski ◽  
Thomas Schleid ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
Water Molecules ◽  
Infrared And Raman Spectra ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Single Crystal Structures

The crystal structure of Li[SCN] · 2 H2O has been determined by single-crystal X-ray diffraction on commercially available material. Crystals of this compound are colorless, transparent and hygroscopic. Li[SCN] · 2H2O adopts the orthorhombic space group Pnma with the cell parameters a = 572.1(3), b = 809.3(4) and c = 966.9(4) pm and Z = 4. Li[SCN] was obtained by dehydration of the afore-mentioned dihydrate and also crystallizes orthorhombically in Pnma with the lattice parameters a = 1215.1(3), b = 373.6(1) and c = 529:9(2) pm (Z = 4). Both compounds contain Li+ cations in sixfold coordination. Four water molecules and two nitrogen-attached thiocyanate anions [SCN]- arrange as trans-octahedra [Li(OH2)4(NCS)2]- in the case of Li[SCN] · 2 H2O. Anhydrous Li[SCN] displays fac-octahedra [Li(NCS)3(SCN)3]5- with six thiocyanate anions grafting via both nitrogen and sulfur atoms, three each. Infrared and Raman spectra of both compounds were recorded and a DSC=TG measurement was performed on Li[SCN] · 2 H2O.

Microtructure of Woodceramics Modified By Enzymatic Hydrolysis Lignin

2011 ◽  
Vol 236-238 ◽  
pp. 486-489
Author(s):  
Zhen Kun Huang ◽  
Xiao Xiao Zhao ◽  
Qiu Feng Lü ◽  
Xian Su Cheng
Keyword(s):  
Enzymatic Hydrolysis ◽  
Chemical Structure ◽  
Phenolic Resin ◽  
Phase Identification ◽  
Hydrolysis Lignin ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure Phase ◽  
Ft Ir ◽  
Scanning Electron

Novel woodceramics were fabricated by camphora powder and phenolic resin modified by enzymatic hydrolysis lignin (EHL). The chemical structure, phase identification and morphology of woodceramics were investigated by FT-IR, X-ray diffraction (XRD) and scanning electron microscopy (SEM). The results showed that woodceramics possessed topologically homogenous structure and contained C-O-C, C–H and C =C bonds. EHL played an important role upon the microstructures of woodceramics. The disorder of woodceramics was reduced while content of EHL was increased.

Synthesis and X-ray diffraction data of 5-acryloyloxy-trans-2-(4-methoxyphenyl)-3-methyl-2,3-dihydrobenzo[b]furan

2012 ◽  
Vol 27 (3) ◽  
pp. 211-214
Author(s):  
Mónica V. Sandoval ◽  
J. A. Henao ◽  
Arnold R. Romero Bohórquez ◽  
Vladimir V. Kouznetsov
Keyword(s):  
Cycloaddition Reaction ◽  
Unit Cell ◽  
Gas Chromatography Mass Spectrometry ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Anhydrous Dichloromethane ◽  
X Ray ◽  
Cell Parameters ◽  
Ft Ir ◽  
C Nmr

The compound O-acryloylated 2,3-dihydrobenzo[b]furan-5-ol (2) described in the title (chemical formula C19H18O4) was synthesized through the acryloylation reaction in anhydrous dichloromethane from the corresponding trans-2-(4-methoxyphenyl)-3-methyl-2,3-dihydrobenzo[b]furan-5-ol derivative (1), an adduct easily obtained using the Lewis acid-promoted formal [3 + 2] cycloaddition reaction. Molecular characterization was performed by Fourier Transform-Infrared (FT-IR), Gas Chromatography-Mass Spectrometry (GC-MS), 1H and 13C NMR and crystallographic characterization was carried out by X-ray diffraction (XRD) of polycrystalline samples. The title compound crystallized in a monoclinic system and unit-cell parameters are reported [a = 8.067(2) Å, b = 8.803(2) Å, c = 22.405(5) Å, β = 91.62(3)°, unit-cell volume V = 1590.7(6) Å3 and Z = 4]. All measured lines were indexed with the P21/c (No. 14) space group.

Sign in / Sign up

Export Citation Format

Share Document