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Crystal structure and DFT study of bis{(S)-2-[(2-hydroxybenzyl)amino]-4-methylpentanoato-kappa N-2,O}(1,10-phenanthroline-kappa N-2,N ')nickel(II)
(Int Union Crystallography, 2017)
In the title compound, [Ni(C13H18NO3)(2)(C12H8N2)], the Ni-II cation shows a distorted octahedral coordination environment. It is formed by two N atoms from the phenanthroline ligand, as well as two N and two O atoms ...
Crystal structure and DFT study of (E)-2,6-di-tert-butyl-4-{[2-(pyridin-2-yl)hydrazin-1-ylidene)methyl}phenol
(Int Union Crystallography, 2017)
The title compound, C20H27N3O, was synthesized by condensation reaction of 3,5-di-tert-butyl-4-hydroxybenzaldehyde and 2-hydrazinylpyridine, and crystallizes in the centrosymmetric monoclinic space group C2/c. The conformation ...
Crystal structure and the DFT and MEP study of 4-benzyl-2[2-(4-fluorophenyl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
(Int Union Crystallography, 2019)
The title pyridazin-3(2H)-one derivative, C25H19FN2O2, crystallizes with two independent molecules (A and B) in the asymmetric unit. In molecule A, the 4-fluorophenyl ring, the benzyl ring and the phenyl ring are inclined ...
Synthesis, crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-kappa N-1)-cobalt(II) succinate
(Int Union Crystallography, 2018)
The reaction of CoCl2 with succinic acid and isonicotinamide in basic solution produces the title complex [Co(C6H6N2O)(2)(H2O)(4)](C4H4O4). The cobalt(II) ion of the complex cation and the succinate anion are each located ...
Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[5-(4-methylbenzyl)-6-oxo-3-phenyl-1,6-dihydropyriciazin-1-yl]acetic acid
(Int Union Crystallography, 2019)
The title pyridazinone derivative, C20H18N2O3, is not planar. The phenyl ring and the pyridazine ring are inclined to each other by 10.55 (12)degrees, whereas the 4-methylbenzyl ring is nearly orthogonal to the pyridazine ...
Crystal structure of 4-[(2-hvdroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate
(Int Union Crystallography, 2019)
In the crystal of the title vanilline derivative, 2C(15)H(15)NO(4)center dot H2O, the secondary amine molecule is accompanied by half equivalent of water. The molecule is non-planar, with torsion angle C-aryl-CH2-NH-C-aryl ...
3-[(Diphenylphosphinothioyl)oxy]-N-methylpropan-1-aminium diphenylphosphanylthioate
(International Union of Crystallography, 2014)
The title salt, C16H21NOPS+ C12H10OPS, was synthesized from the reaction between 3-(methylamino)propan-1-ol and PPh2(S)Cl in the presence of Et3N. Its structure has been identified using spectroscopic methods and X-ray ...
Crystal structure of N,N-disalicylidene-(R,S)(S,R)-1,2-ethanediamine
(Iranian Chemical Soc, 2006)
N,N-disalicylidene-(R, S)(S, R)-1,2-ethanediamine crystallizes in orthorhombic space group Pbca with a = 9.5634( 6), b = 14.2917( 9), c = 16.9181( 8) angstrom and Z = 4. The crystal structure was solved by direct methods ...
X-ray crystal structure of trans-bis(monoethanolamine) bis(saccharinato)nickel(II)
(Kluwer Academic/Plenum Publ, 2000)
The crystal structure of trans-bis(monoethanolamine)bis(saccharinato)nickel(II), [Ni(C7H4NO3S)(2)(C2H7NO)(2)], has been determined from X-ray diffraction data. The metal complex is monoclinic, with a = 11.0555(5), b = ...
