scholarly journals Synthesis, Crystal Structure, and Thermal Decomposition of the Cobalt(II) Complex with 2-Picolinic Acid

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
Di Li ◽  
Guo-Qing Zhong
Keyword(s):  
Crystal Structure ◽  
Thermal Decomposition ◽  
Picolinic Acid ◽  
Cobalt Acetate ◽  
Distorted Octahedral Geometry ◽  
Scanning Calorimetry ◽  
Monoclinic System ◽  
Cell Parameters ◽  
Composition And Structure ◽  
Final Residue

The cobalt(II) complex of 2-picolinic acid (Hpic), namely,[Co(pic)2(H2O)2]·2H2O, was synthesized with the reaction of cobalt acetate and 2-picolinic acid as the reactants by solid-solid reaction at room temperature. The composition and structure of the complex were characterized by elemental analysis, infrared spectroscopy, single crystal X-ray diffraction, and thermogravimetry-differential scanning calorimetry (TG-DSC). The crystal structure of the complex belongs to monoclinic system and space groupP2(1)/n, with cell parameters ofa=9.8468(7) Å,b=5.2013(4) Å,c=14.6041(15) Å,β=111.745(6)°,V=747.96(11) Å3,Z=2,Dc=1.666 g cm−3,R1=0.0297, andwR2=0.0831. In the title complex, the Co(II) ion is six-coordinated by two pyridine N atoms and two carboxyl O atoms from two 2-picolinic acid anions, and two O atoms from two H2O molecules, and forming a slightly distorted octahedral geometry. The thermal decomposition processes of the complex under nitrogen include dehydration and pyrolysis of the ligand, and the final residue is cobalt oxalate at about 450°C.

scholarly journals Synthesis and Crystal Structure of the Bioinorganic Complex [Sb(Hedta)]·2H2O

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
Di Li ◽  
Guo-Qing Zhong
Keyword(s):  
Crystal Structure ◽  
Ethylenediaminetetraacetic Acid ◽  
Raw Materials ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Cell Parameters ◽  
Composition And Structure ◽  
Decomposition Processes ◽  
Distorted Trigonal Bipyramid

The antimony(III) complex [Sb(Hedta)]·2H2O was synthesized with ethylenediaminetetraacetic acid (H4edta) and antimonous oxide as main raw materials in aqueous solution. The composition and structure of the complex were characterized by elemental analysis, infrared spectra, single crystal X-ray diffraction, X-ray powder diffraction, thermogravimetry, and differential scanning calorimetry. The crystal structure of the antimony(III) complex belongs to orthorhombic system, space group Pna2(1), with cell parameters ofa=18.4823(18) Å,b=10.9408(12) Å,c=7.3671(5) Å,V=1489.7(2) Å3,Z=4, andDc=1.993 g cm−3. The Sb(III) ion is five-coordinated by two amido N atoms and three carboxyl O atoms from a single Hedta3−ligand, forming a distorted trigonal bipyramid geometry. The thermal decomposition processes of the complex include dehydration, oxidation, and pyrolysis of the ligand, and the last residue is Sb2O3at the temperature of 570°C.

scholarly journals Synthesis, Crystal Structure, Spectroscopic Properties, and Interaction with Ct-DNA of Zn(II) with 2-Aminoethanethiol Hydrochloride Ligand

2016 ◽  
Vol 2016 ◽  
pp. 1-7 ◽  
Author(s):  
Xu-gang Shu ◽  
Chun-li Wu ◽  
Cui-jin Li ◽  
Min Zhang ◽  
Ke Wan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Raw Materials ◽  
Spectroscopic Properties ◽  
X Ray Diffraction ◽  
Specific Viscosity ◽  
Monoclinic System ◽  
Sulfate Heptahydrate ◽  
Cell Parameters ◽  
Composition And Structure ◽  
Ct Dna

The zinc(II) complex (C2H6NS)2Zn·ZnCl2was synthesized with 2-aminoethanethiol hydrochloride and zinc sulfate heptahydrate as the raw materials in aqueous solution. The composition and structure of the complex were characterized by elemental analysis, infrared spectra, single crystal X-ray diffraction, and thermogravimetry. The crystal structure of the zinc(II) complex belongs to monoclinic system, space groupP  21/n, with cell parameters ofa= 0.84294(4),b= 0.83920(4),c= 1.65787(8) nm,Z=2, andD= 2.041 g/cm3. In this paper, the interaction of complex with Ct-DNA was investigated by UV-visible and viscosimetric techniques. Upon addition of the complex, important changes were observed in the characteristic UV-Vis bands (hyperchromism) of calf thymus DNA and some changes in specific viscosity. The experimental results showed that the complex is bound to DNA intercalative (intercalation binding).

Synthesis, Crystal Structure and Thermal Decomposition of a New Energetic Potassium Salt of dihydridobis(3-nitro-1,2,4-triazolyl) Borate

2020 ◽  
Vol 24 (9) ◽  
pp. 1042-1047
Author(s):  
Wang Guodong ◽  
Liu Yucun ◽  
Liu Guoqing ◽  
Jing Suming ◽  
Liao Longyu
Keyword(s):  
Crystal Structure ◽  
Thermal Decomposition ◽  
Potassium Salt ◽  
X Ray Diffraction ◽  
Ozawa Method ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Potassium Borohydride ◽  
Crystal Density

A new energetic organic potassium salt of dihydridobis (3-nitro-1,2,4-triazolyl) borate was synthesized from 3-nitro-1,2,4-triazole and potassium borohydride at 110 °C, and structurally characterized by elemental analysis, IR spectra, 13C NMR and singlecrystal X-ray diffraction. Results show that the crystal belongs to monoclinic system with space group of p21 / C and cell parameters of a = 10.335 (8) Å, B = 10.812 (8) Å, C = 9.821 (8) Å, α = 90 ˚, β = 106.470 (13), γ = 90 °, z = 4. Its crystal density is 1.755g/cm3. Thermal properties were studied with TG-DTA and DSC. There was only one sharp decomposition peak temperature of 270 °C at the heating rate of 10 °C/ min-1. The activation energies EK = 48.0kJ/mol-1 and EO = 49.8kJ/mol-1 were calculated by the Kissinger method and Ozawa method respectively (CCDC: 1975139).

scholarly journals Synthesis and structure study of new manganese and indium based phosphate: (Ca,Ba)1.222Mn0.923In1.570(PO4)3

2018 ◽  
Vol 149 ◽  
pp. 01085
Author(s):  
Elhassan Benhsina ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Three Dimensional ◽  
Structural Diversity ◽  
Structure Study ◽  
Important Class ◽  
Common Edge ◽  
Monoclinic System ◽  
Metal Phosphates ◽  
Cell Parameters

Phosphates are an important class of materials which are well-known due to their structural diversity and their important potential application in many fields of sciences. A member of this family, represented by transition metal phosphates, is in the forefront of important researchers. A new manganese and indium based phosphate is successfully isolated by means of solid state reaction. Its corresponding crystal structure is isotypic to the alluaudite and crystallizes in the monoclinic system with the space group C2/c and cell parameters a=12.4697(5)Å ; b=12.9365(5)Å ; c=6.5625(3)Å and β=115.603(1)°. The framework of this phosphate is built up on the basis of MnO6, InO6 and PO4 polyhedra. The InO6 octahedra are linked together via common edge, leading to the formation of In2O10 dimers. The In2O10 dimers share edge with MnO6 octahedra, generating chains along the [101] direction. The PO4 tetrahedra connect two chains giving arise to a three-dimensional framework with hexagonal tunnels where the barium and calcium are located.

scholarly journals Crystal structure of gluconate 5-dehydrogenase from Lentibacter algarum

2020 ◽  
Vol 76 (5) ◽  
pp. 228-234
Author(s):  
Dengke Tian ◽  
Xueqi Fu ◽  
Wenqiang Cao ◽  
Hong Yuan
Keyword(s):  
Crystal Structure ◽  
Escherichia Coli ◽  
Structural Similarity ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Space Group ◽  
Cell Parameters ◽  
High Structural Similarity

Gluconate 5-dehydrogenase (Ga5DH; EC 1.1.1.69) from Lentibacter algarum (LaGa5DH) was recombinantly expressed in Escherichia coli and purified to homogeneity. The protein was crystallized and the crystal structure was solved at 2.1 Å resolution. The crystal belonged to the monoclinic system, with space group P1 and unit-cell parameters a = 55.42, b = 55.48, c = 79.16 Å, α = 100.51, β = 105.66, γ = 97.99°. The structure revealed LaGaDH to be a tetramer, with each subunit consisting of six α-helices and three antiparallel β-hairpins. LaGa5DH has high structural similarity to other Ga5DH proteins, demonstrating that this enzyme is highly conserved.

scholarly journals Synthesis, Crystal Structure and IR Spectrum studies of 2-(4-Methyl-2-phenyl-4,5-dihydro-oxazol-4-ylmethyl)- isoindole-1,3-dione

2019 ◽  
Vol 9 (2) ◽  
pp. 116-124 ◽  
Author(s):  
Alami Anouar ◽  
Khadim Dioukhane ◽  
Younas Aouine ◽  
Mohamed El Omari ◽  
Lahcen El Ammari ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Least Squares Method ◽  
Spectroscopic Studies ◽  
Amino Compound ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Complete Matrix

The organo-amino compound of title 2-(4-methyl-2-phenyl-4,5-dihydro-oxazol-4-ylmethyl)-isoindole-1,3-dione was synthesized by the mixture of (4-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)methyl-4-methylbenzenesulfonate and isoindoline-1,3-dione in N,N-dimethylformamide with a yield of around 65%. The structural study of the compound, C19H16N2O3, is realized using single crystal X-Ray diffraction which shows that this compound crystallizes in the monoclinic system (P21/c, Z = 4) with the unit cell parameters: a = 14.3728 (13) Ã…, b = 9.6829 (10) Ã…, c = 11.8964 (12) Ã… and β = 107.384 (3). The refinement of the structure by the least-squares method with complete matrix leads to the following reliability factors R/Rw are 0.044/0.130.In the crystal, the molecules are linked together by hydrogen bonds and π…π interactions.The Infrared spectroscopic studies show the bands confirming the presence of the groups C=O, C-O, C-N, -CH3, -CH2 and =CH. 

Synthesis, crystal structure, and X-ray diffraction data of lithium m-phenylenediamine sulfate Li2(C6H10N2)(SO4)2

2021 ◽  
pp. 1-5
Author(s):  
Junyan Zhou ◽  
Congcong Chai ◽  
Munan Hao ◽  
Xin Zhong
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Structural Phase ◽  
Measured Temperature ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Anisotropic Expansion ◽  
Diffraction Patterns

A new organic–inorganic hybrid lithium m-phenylenediamine sulfate (LPS), Li2(C6H10N2)(SO4)2, was synthesized under aqueous solution conditions. The X-ray powder diffraction study determined that the title compound crystallized in a monoclinic system at 300 K, with unit-cell parameters a = 7.8689(6) Å, b = 6.6353(5) Å, c = 11.8322(10) Å, β = 109.385(3) °, V = 582.77(8) Å3. Indexing of the diffraction patterns collected from 100 to 600 K reveals that LPS has no structural phase transition within the measured temperature range, and the volume expansion coefficient is approximately 2.79 × 10−5 K−1. The crystal structure was solved based on the single-crystal diffraction data with space group P21/m. Lithium and SO42− are found to form quasi-two-dimensional anti-fluorite [LiSO4] layers stacking along the c-axis, with m-phenylenediamine molecules inserted in the anti-fluorite layers and forming hydrogen bonds to the SO42−. This explains a moderate anisotropic expansion in LPS.

Molecular and Crystal Structure of Sildenafil Base

2012 ◽  
Vol 67 (5) ◽  
pp. 491-494 ◽  
Author(s):  
Dmitrijs Stepanovs ◽  
Anatoly Mishnev
Keyword(s):  
Crystal Structure ◽  
Erectile Dysfunction ◽  
Crystal Structures ◽  
Unit Cell ◽  
Sildenafil Citrate ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Sildenafil citrate monohydrate, well known as Viagra®, is a drug for the treatment of erectile dysfunction. Here we present the X-ray crystal structure of the sildenafil base, C22H30N6O4S. The compound crystallizes in the monoclinic system, space group P21/c with the unit cell parameters a = 17:273(1), b=17:0710(8), c=8:3171(4) Å , b =99:326(2), Z = 4, V = 2420:0(3) Å3. A comparison with the known crystal structures of sildenafil citrate monohydrate and sildenafil saccharinate is also presented.

The crystal structure of C.I. Pigment Red 2, 1′-(2,5-dichlorophenyl)azo-2′hydroxy-3′-phenylamidonaphthalene

1977 ◽  
Vol 146 (4-6) ◽  
Author(s):  
A. Whitaker
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Intramolecular Hydrogen

AbstractThe crystal and molecular structure of C.I. Pigment Red 2, l′-(2,5-dichlorophenyl)azo-2′-hydroxy-3′-phenylamidonaphthalene has been determined by x-ray diffraction techniques. It crystallizes in the monoclinic system with cell parametersThe hydrogen atoms have been found and included but not refined. The final residual is 15.3%. The molecule is probably in the form of the hydrazone tautomer. The intramolecular hydrogen bonds keep most of the molecule approximately planar while it appears that the remainder is held in the same plane due to steric hinderence between the molecules. The molecules are packed in columns with alternate molecules antiparallel and are linked by van der Waals forces.

scholarly journals Synthesis, Crystal structure of hepta (pyridinium) bis (hexachlorobismuthate (III)) nitrate [C5H6N]7(BiCl6)2(NO3)

2013 ◽  
Vol 9 (2) ◽  
pp. 1975-1987
Author(s):  
Ben Tahar Fayçal ◽  
Perez Olivier ◽  
Slaheddine Chaabouni
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Room Temperature ◽  
Three Dimensional ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Cell Parameters ◽  
Dimensional Network

An hepta (pyridinium) bis (hexachlorobismuthate (III)) nitrate, (C5H6N)7(BiCl6)2(NO3) crystallizes at room temperature in the monoclinic system, space group P21/n, with the following unit-cell parameters: a = 9.555(1) Å, b = 16.847(1) Å, c = 32.522(1) Å, β = 94.37° , V = 5219.8 Å3 and four molecules per unit cell. Its crystal structure was determined and refined down to R1 = 0.0504, wR2 = 0.0667. The structure of the title compound, (C5H6N)7(BiCl6)2(NO3) consists of seven monoprotonated pyridinium (C5H6N)+ cations, two independent octahedron [BiCl6]3- and an isolated NO3- anion. These entities are linked together through N-H.....Cl and N-H.....O hydrogen bonds, originating from the (C5H6N)+ groups and the isolated anion of nitrate to forming a three dimensional network.

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