An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Using ethylenediamine (en) as a structure-directing agent, a novel hybrid decavanadate (diethylenediammonium diammonium decavanadate tetrahydrated) (NH4)2(H2en)2{V10O28}.4H2O has been synthesized via a slow evaporation approach. A low-temperature single-crystal X-ray diffraction investigation was used to investigate its structural structure. Its crystal structure was studied using a low-temperature single-crystal X-ray diffraction analysis showing a crystallization in the triclinic system (S.G. P-1) with the following unit cell parameters (angstrom, degrees) a = 8.4975 (2), b =10.2550 (3), c =10.9165 (3), alpha =103.950 (2), beta = 98.466 (2), gamma =113.978 (3). The asymmetric unit is made up of a single [V10O28]6- monomer, one (NH4)+, one ethylenediammonium (H2en)2+ cation, and two H2O molecules. Supramolecular interactions such as N-H...O and O-H...O hydrogen bonds build the three-dimensional network, ensuring the connection between organic cations, water molecules, and the inorganic framework. The Fourier Transform Infrared result shows distinct bands associated with decavanadate moieties, organic molecules, water molecules and ammonia and it was correlated with the crystal structure. The organic moieties, water molecules, and ammonium ions are all lost during the hybrid compound's thermal decomposition. The study of the corrosion inhibiting behavior of the decavanadate solution clearly showed a much stronger effect in acidic media than in a neutral environment. However, the biological activity of (NH4)2(H2en)2{V10O28}.4H2O revealed humble results.
Employing trans-1,4-diaminocyclohexane (DACH) as template, the new hybrid sulphate (C6N2H16)[Co(H2O)(6)](SO4)(2)center dot 2H(2)O was prepared in solution. Single crystal X-ray diffraction analysis shows that it crystallizes in the monoclinic system (S.G.: P 21/n), with the following unit-cell parameters (angstrom,degrees): a = 6.2897(2), b = 12.3716(6), c = 13.1996(4), beta = 98.091(3) V = 1016.89(7) angstrom 3, Z = 4. Its 3D crystal structure is made upon isolated [Co(H2O)6] octahedra, regular [SO4] tetrahedra, protonated DACH and free H2O molecules, which interact through N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds. The Fourier transform infrared result exhibits bands corresponding to the vibrations of DACH, sulfate group and water molecules. The thermal decomposition of the phase consists mainly in the loss of the organic moiety and one sulfate group, leading thus to the formation of anhydrous cobalt sulfate.
A new inorganic-organic hybrid open framework nickel sulfate C6N2H16[Ni(H2O)6(SO4)(2)]center dot 2H(2)O has been synthesized by slow evaporation in aqueous solution using trans-1,4-diaminocyclohexane as structure-directing agent. It was characterized by single-crystal X-ray diffraction, infrared spectroscopy and analyzed by TGA-DSC. The compound crystallizes in the monoclinic space group P2(1)/n, with the unit cell parameters of a = 6.2586 angstrom, b = 12.3009 angstrom, c = 13.2451 angstrom, 13= 98,047 degrees, Z = 4. Its crystal structure consists of isolated polyhedrons [Ni(H2O)(6)](2+) and [SO4](2-) and free water which connects through hydrogen bonds. This association results in the porous framework where the protonated organic molecule trans-1,4-diaminocyclohexane is located as a counter ion. The IR spectra Shows the bands corresponding to the sulfate anion, water molecule and diprotonated trans-1-4-diaminocyclohexane. Thermal study indicates the loss of water molecules and the degradation of trans-1-4-diaminocyclohexane.