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Toplam kayıt 9, listelenen: 1-9
Crystal structure and DFT computational studies of (E)-2,4-di-tert-butyl-6-{[3-(trifluoromethyl)benzyl]-iminomethyl}phenol
(Int Union Crystallography, 2020)
The title compound, C23H28F3NO, is an ortho-hydroxy Schiff base compound, which adopts the enol-imine tautomeric form in the solid state. The molecular structure is not planar and the dihedral angle between the planes of ...
Crystal structure and Hirshfeld surface analysis of 2-phenyl-1H-phenanthro[9,10-d]imidazol-3-ium benzoate
(Int Union Crystallography, 2020)
In the title compound, C21H15N2+center dot C7H5O2-, 2-phenyl-1H-phenanthro[9,10-d]imidazole and benzoic acid form an ion pair complex. The system is consolidated by hydrogen bonds along with pi-pi interactions and N-H ...
Crystal structure, DFT and MEP study of (E)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol
(Int Union Crystallography, 2020)
In the crystal structure of the title compound, C14H12ClNO, the molecules are linked through C-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot pi interactions, forming chains ...
Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses
(Int Union Crystallography, 2020)
Two polymorphs of the title compound, C19H16N2O3, were obtained from ethanolic (polymorph I) and methanolic solutions (polymorph II), respectively. Both polymorphs crystallize in the monoclinic system with four formula ...
Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
(Int Union Crystallography, 2020)
The asymmetric unit of the title compound, C22H31NO3, comprises of one molecule. The molecule is not planar, with the carboxylate ester group inclined by 33.47 (4)degrees to the heterocyclic ring. Individual molecules are ...
Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide
(Int Union Crystallography, 2020)
The asymmetric unit of the title compound, C5H7N2O+center dot C4H4NO4S-, contains one cation and one anion. The 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide anion adopts an envelope conformation with the S atom as ...
Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non-coordinated benzoate
(Int Union Crystallography, 2020)
In the title compound, diaquabis(ethylenediamine-kappa N-2,N')copper(II) bis(2-nitrobenzoate), [Cu(C2H8N2)(2)(H2O)(2)](C7H4NO4)(2), two diaquabis(ethylenediamine)copper(II) cations and four nitrobenzoate anions are present ...
Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4-methoxy-pyridine-2-carboxylic acid, molecular docking studies and investigation of their anti-tumor effects in vitro
(Wiley, 2020)
The first mixed ligand Mn (II) and Cd (II) complexes containing 4-methoxy-pyridine-2-carboxylic acid (4-mpic) and 4,4 '-dimethyl-2,2 '-bipyridine (dmbpy) were synthesized in this study. The geometric structures of ...
Two new zinc(II) and mercury(II) complexes based on N,V-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities
(Int Union Crystallography, 2020)
Reaction of N,N1-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide), C20H18F2N402, (LF), with zinc chloride and mercury(II) chloride produced different types and shapes of neutral coordination complexes, namely, ...