scholarly journals Crystal structure of hexaaquocobalt(II) theophylline-7-acetate tetrahydrate, [Co(OH2)6][C9H9N4O4]2 · 4H2O

2000 ◽  
Vol 215 (3) ◽  
pp. 441-442
Author(s):  
E. Horn ◽  
A. F. Botello ◽  
J. M. Salas ◽  
E. R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Acetate Tetrahydrate

The crystal structure of magnesium acetate-tetrahydrate Mg (CH3COO)2. 4 H2O

1957 ◽  
Vol 45 (2) ◽  
pp. 117-123 ◽  
Author(s):  
Jagdish Shankar ◽  
P. G. Khubchandani ◽  
V. M. Padmanabhan
Keyword(s):  
Crystal Structure ◽  
Magnesium Acetate ◽  
Acetate Tetrahydrate

A new one-dimensional coordination polymer of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid with manganese

2015 ◽  
Vol 71 (9) ◽  
pp. 759-762
Author(s):  
Jing Wang ◽  
Chunmei Jia ◽  
Xiao Feng ◽  
Wenbing Yuan
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Room Temperature ◽  
Glass Tube ◽  
Isophthalic Acid ◽  
Carboxylate Group ◽  
Acetate Tetrahydrate ◽  
Triclinic Space Group ◽  
One Dimensional ◽  
Carboxylate Groups

The coordination polymercatena-poly[[(dimethylformamide-κO)[μ3-5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalato-κ4O1,O1′:O3:O3′](methanol-κO)manganese(III)] dimethylformamide monosolvate], {[Mn(C40H23NO6)(CH3OH)(C3H7NO)]·C3H7NO}n, has been synthesized from the reaction of 5-(1,3-dioxo-4,5,6,7-tetraphenylisoindolin-2-yl)isophthalic acid and manganese(II) acetate tetrahydrate in a glass tube at room temperature by solvent diffusion. The MnIIcentre is hexacoordinated by two O atoms from one chelating carboxylate group, by two O atoms from two monodentate carboxylate groups and by one O atom each from a methanol and a dimethylformamide (DMF) ligand. The single-crystal structure crystallizes in the triclinic space groupP\overline{1}. Moreover, the coordination polymer shows one-dimensional 2-connected {0} uninodal chain networks, and free DMF molecules are connected to the chains by O—H...O hydrogen bonds. The thermogravimetric and photoluminescent properties of the compound have also been investigated.

scholarly journals A new example of intramolecular C—H...Ni anagostic interactions: synthesis, crystal structure and Hirshfeld analysis ofcis-bis[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamidato-κ2N1,S]nickel(II) dimethylformamide monosolvate

2017 ◽  
Vol 73 (6) ◽  
pp. 859-863 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Johannes Beck ◽  
Sônia Elizabeth Brown S. Mellone ◽  
Jörg Daniels
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Molar Ratio ◽  
Acetate Tetrahydrate ◽  
Complex Molecules ◽  
One Dimensional ◽  
Square Planar ◽  
Hirshfeld Analysis ◽  
Solvent Molecules

The reaction of NiIIacetate tetrahydrate with 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide in a 2:1 molar ratio and recrystallization from dimethylformamide yielded the title compound, [Ni(C12H14N3S)2]·C3H7NO. The ligands act as monoanionic κ2N1,S-donors, forming five-membered metallarings. The NiIIion is fourfold coordinated in a distorted square-planarcis-configuration, which is rather uncommon for monothiosemicarbazone complexes. Intramolecular H...Nitrans-interactions are observed [H...Ni distances are 2.50 and 2.57 Å] and thus anagostic interactions can be suggested. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H...H (66.6%), H...S (12.3%) and H...C (10.9%) interactions. In the crystal, the complex molecules are linked by dimethylformamide solvent molecules through N—H...O interactions into one-dimensional hydrogen-bonded polymers along [010].

Chemical accuracy and precision in Rietveld analysis: The crystal structure of cobalt(II) acetate tetrahydrate

1997 ◽  
Vol 12 (1) ◽  
pp. 27-39 ◽  
Author(s):  
James A. Kaduk ◽  
Walt Partenheimer
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Three Dimensional ◽  
Rietveld Analysis ◽  
Monoclinic Space Group ◽  
Acetate Tetrahydrate ◽  
Atomic Displacements ◽  
Synchrotron Powder Diffraction ◽  
Accuracy And Precision

The crystal structure of cobalt(II) acetate tetrahydrate, Co(C2H3O2)·4H2O, has been refined using single-crystal, laboratory powder, and synchrotron powder diffraction data, both individually and in various combinations. The compound crystallizes in the monoclinic space group P21/c, with a=4.80688(3), b=11.92012(7), c=8.45992(5) Å, β=94.3416(4)° at 27 °C, and Z=2. The crystal structure consists of discrete centrosymmetric trans-Co(C2H3O2)(H2O)4 complexes, linked by a three-dimensional network of hydrogen bonds. Each complex participates in 14 hydrogen bonds, 12 intermolecular, and 2 intramolecular. Compared to the single-crystal refinement, refinement of laboratory powder data yielded an average difference in bond distances of 0.02 Å, in bond angles of 3°, and in root mean square atomic displacements of 0.07 Å. The standard uncertainties of the bond distances were 0.01 Å, compared to the 0.001–0.002 Å in the single-crystal refinement. Refinement of the synchrotron powder data yielded improved accuracy and precision. It proved impossible to locate or refine hydrogen positions using a single-powder dataset, but the hydrogens could be refined using rigid groups in a joint refinement of the two powder datasets. Even from powder refinements, it is possible to obtain suitable accuracy and precision to distinguish C–O and C=O bonds, and to examine details of chemical bonding.

Crystal structure of manganese acetate tetrahydrate

1974 ◽  
Vol 30 (9) ◽  
pp. 2234-2236 ◽  
Author(s):  
E. F. Bertaut ◽  
D. Tran Qui ◽  
P. Burlet ◽  
P. Burlet ◽  
M. Thomas ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Manganese Acetate ◽  
Acetate Tetrahydrate

Preparation and Crystal Structure Nickel Acetate Tetrahydrate

2011 ◽  
Vol 396-398 ◽  
pp. 1860-1863
Author(s):  
Xi Shi Tai
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Nickel Acetate ◽  
Monoclinic Space Group ◽  
Acetate Tetrahydrate ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Nickel Acetate Tetrahydrate ◽  
Dimensional Network ◽  
Complex Forms

The crystals of nickel acetate tetrahydrate have been obtained in the existence of 4-amino-2-methylquinoline. The crystal structure of the nickel acetate tetrahydrate was determined by X-ray single crystal diffraction analysis. The crystal data for nickel acetate tetrahydrate: monoclinic, space group P2(1)/c, a = 0.48319(9) nm, b = 1.1900(2) nm, c = 0.85531(17) nm, V = 0.49064(16) nm3, Z=2, M r= 248.86, De = 1.685 g/cm3, T = 298(2) K, F (000) = 260, R = 0.0756 and wR = 0.1662. The complex forms three-dimensional network structure through hydrogen bonds.

Synthesis, crystal structure, luminescence and electrochemical properties of a Salamo-type trinuclear cobalt(II) complex

2018 ◽  
Vol 73 (3-4) ◽  
pp. 203-210 ◽  
Author(s):  
Zong-Li Ren ◽  
Jing Hao ◽  
Ping Hao ◽  
Xiu-Yan Dong ◽  
Yang Bai ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electrochemical Properties ◽  
Acetate Tetrahydrate ◽  
X Ray ◽  
Infinite Layer ◽  
Π Interactions ◽  
X Ray Crystallography ◽  
Elemental Analyses ◽  
Distorted Octahedra ◽  
Ft Ir

AbstractA trinuclear Co(II) complex, [{CoL(C4H9OH)}2-(OAc)2Co]·C3H7NO, was synthesized by the reaction of a Salamo-type chelating ligand (H2L=4,42′-dinitro-2,2′-[1,2-ethylenedioxybis(nitrilomethylidyne)]diphenol) with cobalt(II) acetate tetrahydrate inn-butanol, and characterized by elemental analyses, X-ray crystallography, FT-IR and UV/Vis spectra. In the Co(II) complex, there are two ligand L2−units, twoμ2-acetate ions, two coordinatedn-butanol molecules and one non-coordinatedN,N-dimethylformamide molecule. The Co(II) atoms in the structure of the Co(II) complex adopt slightly distorted octahedra geometries. Furthermore, through intermolecular C–H···O, O–H···O and C–H···π interactions, infinite layer-like, plane-like and 3D supramolecular structures are constructed. The fluorescence and electrochemical properties of the Co(II) complex have also been investigated.

A three-dimensional study of the crystal structure of nickel acetate tetrahydrate

1971 ◽  
Vol 27 (3) ◽  
pp. 706-712 ◽  
Author(s):  
T. C. Downie ◽  
W. Harrison ◽  
E. S. Raper ◽  
M. A. Hepworth
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Nickel Acetate ◽  
Acetate Tetrahydrate ◽  
Nickel Acetate Tetrahydrate

Crystal Structure Determination of Glycerol-Containing Lipids from Electron Diffraction Data. Use of Analog Compounds Based upon Configurational Isomers of Cyclopentane-1, 2, 3-TRIOL

1977 ◽  
Vol 35 ◽  
pp. 24-25
Author(s):  
Douglas L. Dorset ◽  
Anthony J. Hancock
Keyword(s):  
Crystal Structure ◽  
Electron Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Crystal Surface ◽  
Coherent Scattering ◽  
Crystal Structure Determination ◽  
Electron Diffraction Data ◽  
Polar Group ◽  
Axis Orientation

Lipids containing long polymethylene chains were among the first compounds subjected to electron diffraction structure analysis. It was only recently realized, however, that various distortions of thin lipid microcrystal plates, e.g. bends, polar group and methyl end plane disorders, etc. (1-3), restrict coherent scattering to the methylene subcell alone, particularly if undistorted molecular layers have well-defined end planes. Thus, ab initio crystal structure determination on a given single uncharacterized natural lipid using electron diffraction data can only hope to identify the subcell packing and the chain axis orientation with respect to the crystal surface. In lipids based on glycerol, for example, conformations of long chains and polar groups about the C-C bonds of this moiety still would remain unknown.One possible means of surmounting this difficulty is to investigate structural analogs of the material of interest in conjunction with the natural compound itself. Suitable analogs to the glycerol lipids are compounds based on the three configurational isomers of cyclopentane-1,2,3-triol shown in Fig. 1, in which three rotameric forms of the natural glycerol derivatives are fixed by the ring structure (4-7).

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