Preparation and Crystal Structure Er (III) Complex with 2-Formylbenzenesulfonic Sodium-3-Thiosemicarbazide

2011 ◽  
Vol 396-398 ◽  
pp. 993-996
Author(s):  
Xi Shi Tai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Layered Structure ◽  
Ir Spectrum ◽  
Two Dimensional ◽  
Single Crystal Diffraction ◽  
Element Analysis ◽  
X Ray ◽  
Complex Forms

A novel ligand containing sulfonic has been synthesized using 2-formylbenzenesulfonic sodium and 3-thiosemicarbazide as starting materials, and a Er (III) complex was synthesized. The ligand was characterized by element analysis and IR spectrum. The crystal structure of the Er (III) complex was determined by X-ray single crystal diffraction. The results showed that the compound was triclinic, with P-1, a = 1.0596(4) nm, b = 1.3700(5) nm, c = 1.8305(7) nm, V = 2.4726(16) nm3, Z=2, M r= 1244.42, De =1.671 g/cm3, T = 273(2) K, F (000) = 1270, R = 0.0517 and wR = 0.1124. The complex forms two-dimensional layered structure through hydrogen bonds and π-π stacking.

Preparation, Spectral Characterization and Crystal Structure 2-Acetyl-2'-Methoxylacetanilide

2011 ◽  
Vol 396-398 ◽  
pp. 1232-1235
Author(s):  
Li Hua Wang
Keyword(s):  
Crystal Structure ◽  
Infrared Spectrum ◽  
Layered Structure ◽  
Ethyl Acetoacetate ◽  
Monoclinic Space Group ◽  
Target Product ◽  
Crystal Data ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Complex Forms

2-Acetyl-2'-methoxylacetanilide has been synthesized by the reaction of 2-methoxylaniline and ethyl acetoacetate in toluene solution. The compound was characterized by MS, Infrared spectrum, 1HNMR and X-ray single crystal diffraction analysis. The results show that the compound is target product. The crystal data for 2-acetyl-2'-methoxylacetanilide: monoclinic, space group P2(1)/c, Mr= 207.22, De = 1.309 g/cm3, F (000) = 440, R = 0.0826 and wR = 0.1822. The complex forms layered structure through ••• stacking interaction.

Crystal Structure of 3-Indolepropionic Acid

2013 ◽  
Vol 454 ◽  
pp. 272-275
Author(s):  
Li Hua Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Ethanol Solution ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Single Crystal Diffraction ◽  
One Dimensional ◽  
X Ray

The crystals of 3-indolepropionic acid have been obtained by evaporation from ethanol solution. The crystal structure of the 3-indolepropionic acid was determined by X-ray single crystal diffraction analysis. The crystal data for 3-indolepropionic acid: monoclinic, space group P2(1)/c, a = 14.3592(8) Å, b = 5.2446(2) Å, c = 12.3518(6) Å, V = 926.96(8) Å3, Z = 4, Mr = 189.21, De = 1.356 g/cm3, T = 298(2) K, F (000) = 400, R = 0.0435 and wR = 0.1010. The compound forms one-dimensional chained structure through hydrogen bonds and π-π interaction.

scholarly journals Synthesis, Characterization, and Crystal Structure of a Diorganotin(IV) Complex with 2-Oxo-2-Phenylacetic Acid 4-Hydroxybenzohydrazone

2011 ◽  
Vol 2011 ◽  
pp. 1-5 ◽  
Author(s):  
Jing Li ◽  
Handong Yin ◽  
Min Hong
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Phenylacetic Acid ◽  
Pentagonal Bipyramid ◽  
Two Dimensional ◽  
Single Crystal Diffraction ◽  
Triclinic Space Group ◽  
Ethanol Molecule ◽  
X Ray ◽  
C Nmr

The complex dibutyltin 2-oxo-2-phenylacetic acid 4-hydroxybenzohydrazone has been synthesized and characterized by elemental analysis, IR, 1H and 13C NMR, and X-ray single-crystal diffraction studies. The crystal structure belongs to triclinic, space group P-1 with a=9.3220 (10) Å, b=9.8779 (11) Å, c=15.9401 (17) Å, β=97.0930 (10)∘, Z=2, V=1427.6(3) Å3, Dc=1.413 mg/cm3, μ=0.936 mm−1, F(000)=628, R=0.1158, and wR=0.2522. X-ray analysis indicates that O(2), N(2), O(4), and O(4)#1 from the ligand and O(5) from ethanol molecule are in the equatorial positions; the axial positions are occupied by two n-butyl groups. It shows a distorted pentagonal bipyramid configuration with seven-coordination for central tin atom. Fascinatingly, the supramolecular infrastructures are observed, which exist as two-dimensional sheets assembled from the organometallic subunits through intermolecular and intramolecular O–H⋯X or C–H⋯X (X = O or N) hydrogen bonds.

[Yb(H2O)8][Cd3Cl9(H2O)]·6H2O

2003 ◽  
Vol 59 (11) ◽  
pp. i109-i111 ◽  
Author(s):  
Samia Yahyaoui ◽  
Rached Ben Hassen ◽  
Bruno Donnadieu ◽  
Jean-Claude Daran ◽  
Abdelhamid Ben Salah
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Chemical Analysis ◽  
Ternary System ◽  
Single Crystal ◽  
Title Compound ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Elemental Chemical Analysis

The title compound, namely octaaquaytterbium(III) aquanonachlorotricadmate(II) hexahydrate, [Yb(H2O)8][Cd3Cl9(H2O)]·6H2O, was prepared by evaporation at 278 K from an aqueous solution of the ternary system YbCl3–CdCl2–H2O and was characterized by elemental chemical analysis and by X-ray powder and single-crystal diffraction studies. The crystal structure can be viewed as being built from layers of double chains of CdCl6 and CdCl5(H2O) octahedra separated by antiprismatic [Yb(H2O)8]3+ cations. The stabilization of the structure is ensured by O—H...O and O—H...Cl hydrogen bonds. A comparison with the structures of SrCd2Cl6·8H2O and CeCd4Cl11·13H2O is presented.

Synthesis and crystal structure of one new Pb(II) complex constructed by 1,10-phenanthroline and two carboxylate ligands

2021 ◽  
Vol 44 (1) ◽  
pp. 157-164
Author(s):  
Lu-Lin Zhang ◽  
Shi-Li Tang ◽  
De-Jun Li ◽  
Yuan-Zheng Cheng ◽  
Li-Ping Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
Carboxylate Ligands ◽  
Synthesis And Crystal Structure ◽  
Monomeric Species ◽  
X Ray ◽  
Ft Ir

Abstract The complex [Pb(phen)(4-NB)(CH3COO)] of lead(II) was prepared and characterized by means of elemental analysis, FT-IR, and single crystal X-ray analysis, where phen = 1,10-phenanthroline, 4-NB = 4-nitrobenzoate. The single crystal X-ray analysis indicates that the complex is a monomeric species, including two carboxylate ligands, and adopts a hemidirected structure. It is further extended by intermolecular C−H⋯O hydrogen bonds, π–π interactions and secondary Pb⋯O interactions to form two-dimensional supramolecular architecture.

Die Zwillings-Kristallstruktur von Mg(BrO3)2 · 6H2O / The Crystal Structure of Twinned Mg(BrO3)2 · 6H2O

1996 ◽  
Vol 51 (8) ◽  
pp. 1072-1078 ◽  
Author(s):  
Stefan Peter ◽  
Ellen Suchanek ◽  
Dirk Eßer ◽  
Heinz Dieter Lutz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Raman Spectra ◽  
Water Molecules ◽  
Infrared And Raman Spectra ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Correlation Curve ◽  
Accidental Degeneracy

The crystal structure of Mg(BrO3)2·6H2O twinned crystals has been determined by X-ray single crystal diffraction (Pa3̅, a = 1039.56(9) pm). The structure is isomorphic to that of M(BrO3)2·6H2O(M = Co, Ni, Cu, Zn) and Ni(ClO3)2·6H2O. The Mg(BrO3)2·6H2O structure is related to fluorite, with Mg(H2O)62+ replacing Ca2+ and BrO3- replacing F-. The water molecules are involved in nearly linear hydrogen bonds to adjacent bromate ions (νOD of matrix isolated HDO: 2458 and 2453 cm-1). The intramolecular O-H distances 96.84 and 96.90 pm have been derived from the wavenumbers of the respective OD stretches using a recently established vOD vs. rOH correlation curve. The infrared and Raman spectra show accidental degeneracy of the symmetric and the asymmetric BrO stretching modes, which is common for bromate ions with local C3v symmetry.

ScOH(CH3SO3)2, a Basic Methanesulfonate of Scandium with Chain Structure

2004 ◽  
Vol 59 (1) ◽  
pp. 33-36 ◽  
Author(s):  
Mathias S. Wickleder ◽  
Ingrid Müller
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Ir Spectrum ◽  
Methanesulfonic Acid ◽  
Chain Structure ◽  
Orthorhombic Space Group ◽  
X Ray

Abstract Single crystals of ScOH(CH3SO3)2 were obtained from a solution of Sc2(CO3)3 in methanesulfonic acid at pH 7. According to the X-ray single crystal structure determination, the compound crystallizes with the non-centrosymmetric orthorhombic space group Pmc21 (Z = 8, a = 743.92(8), b = 1497.7(3), c = 1540.1(2) pm, Rall = 0.0925) and contains the Sc3+ ions in octahedral coordination of oxygen atoms which belong to two OH− and four CH3SO3 − ions. The linkage of the Sc3+ ions leads to chains according to the formulation 1∞[Sc(CH3SO3)4/2(OH)2/2] which are oriented along the [100] direction and connected via hydrogen bonds. The IR spectrum of the compound shows the typical bands of the CH3SO3 − ion.

2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100 K and Hirshfeld surface analysis

2012 ◽  
Vol 68 (11) ◽  
pp. o452-o455
Author(s):  
Dipak K. Hazra ◽  
Monika Mukherjee ◽  
Madeleine Helliwell ◽  
Alok K. Mukherjee
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Two Dimensional ◽  
Supramolecular Framework ◽  
X Ray ◽  
Polymeric Chains

The crystal structure of the title thiazolecarboxylic acid derivative, C6H7NO2S, (I), has been determined from single-crystal X-ray analysis at 100 K. In the crystal packing, an interplay of O—H...N and C—H...O hydrogen bonds connects the molecules to formC(6)R22(8) polymeric chains, which are further linkedviaweak C—H...O hydrogen bonds into a two-dimensional supramolecular framework. The relative contributions of different interactions to the Hirshfeld surface in (I) and a few related thiazolecarboxylic acid derivatives indicate that the H...H, N...H and O...H contacts can account for about 50–70% of the total Hirshfeld surface area in this class of compound.

Preparation, Spectral Characterization and Crystal Structure 2-Acetyl-2'-Chloroacetanilide

2011 ◽  
Vol 396-398 ◽  
pp. 916-919
Author(s):  
Xi Shi Tai
Keyword(s):  
Crystal Structure ◽  
Mass Spectrum ◽  
Infrared Spectrum ◽  
Diffraction Analysis ◽  
Layered Structure ◽  
Ethyl Acetoacetate ◽  
Single Crystal Diffraction ◽  
Keto Form ◽  
X Ray ◽  
Complex Forms

2-Acetyl-2'-chloroacetanilide has been prepared using 2-chloroaniline and ethyl acetoacetate as starting material in toluene solution. The compound was characterized by mass spectrum, infrared spectrum, 1HNMR, 13CNMR spectra and X-ray single crystal diffraction analysis. The results show that the C=O bond lengths are 1.206(3) Å and 1.195(3) Å, which implies that the molecule is in the keto form. The complex forms layered structure through ••• stacking interaction.

scholarly journals X-ray crystal structure of trans-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(n-pyridyl)ethylenes (n = 2, 3, or 4) constitutional isomers

2020 ◽  
Vol 76 (12) ◽  
pp. 1859-1862
Author(s):  
Jay Quentin ◽  
Eric W. Reinheimer ◽  
Leonard R. MacGillivray
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Structural Features ◽  
The Other ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Packing Assembly

The molecular structure of trans-bis(pyridin-3-yl)ethylene (3,3′-bpe), C12H10N2, as determined by single-crystal X-ray diffraction is reported. The molecule self-assembles into two dimensional arrays by a combination of C—H...N hydrogen bonds and edge-to-face C—H...π interactions that stack in a herringbone arrangement perpendicular to the crystallographic c-axis. The supramolecular forces that direct the packing of 3,3′-bpe as well as its packing assembly within the crystal are also compared to those observed within the structures of the other symmetrical isomers trans-1,2-bis(n-pyridyl)ethylene ( n , n ′-bpe, where n = n′ = 2 or 4).

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