Kutalmış Güven

Crystal structure and physico-chemical properties of diaquabis(1,10-phenanthroline)manganese(II) disaccharinate monohydrate

Abstract A novel manganese complex, [Mn(phen) 2 (H 2 O) 2 ](sac) 2 ·H 2 O, was synthesized by the reaction of [Mn(sac) 2 (H 2 O) 4 ]·2H 2 O with 1,10-phenantroline in aqueous solution and characterized by elemental analysis, IR spectral evidence, magnetic measurements, thermal analysis and single crystal X-ray diffraction. The compound crystallizes in triclinic system, space group P -1, with Z =2. The saccharinate ions do not coordinate the central metal, instead are present as the complementary anions. In the complex cation, Mn(II) is coordinated by two phen and two aqua ligands, and exhibits a distorted octahedral coordination with a high-spin configuration. The presence of lattice and coordinate water molecules are also confirmed by thermal analysis and IR spectroscopy.

The Di‐π‐methane Photorearrangement of 2,3‐Disubstituted Benzobarrelenes and Benzonorbornadiene − Substituent Effects in Regioselectivity

2,3-Disubstituted benzobarrelene and benzonorbornadiene derivatives 16, 17, and 18, containing electron-withdrawing and electron-donating substituents, have been synthesized and subjected to triplet-sensitized photoisomerization. Methyl 3-methyl-2-benzobarrelenecarboxylate (16) gave two di-π-methane rearrangement products. However, methyl 3-cyano-2-benzobarrelenecarboxylate (17) underwent an intramolecular [2π + 2π] cycloaddition reaction, whilst methyl 3-cyano-2-benzonorbornadienecarboxylate (18) formed dimer 40. The formation of these products is discussed in terms of the radical stabilizing effect of the substituents and the destabilizing effect on the formation of cyclopropane ring.

Three 1,2,4-triazole derivatives containing subtituted benzyl and benzyl­amino groups

The title compounds, 4-benzylamino-3-(4-methylbenzyl)-1H-1,2,4-triazol-5(4H)-one, C17H18N4O, (I), 3-(4-methylbenzyl)-4-(4-methylbenzylamino)-1H-1,2,4-triazol-5(4H)-one, C18H20N4O, (II), and 3-(4-chlorobenzyl)-4-(4-methylbenzylamino)-1H-1,2,4-triazol-5(4H)-one, C17H17ClN4O, (III), were obtained from the corresponding Schiff base in the presence of diglyme and NaBH(4). Each compound contains a 1,2,4-triazole ring and two benzene rings, which are essentially planar. The molecules are linked by a combination of intermolecular N-H...O and N-H...N hydrogen bonds. Additionally, there is a weak pi-pi stacking interaction in (I), involving the benzene ring of the aminobenzyl group and the partially aromatic 1,2,4-triazole moiety, with a centroid-centroid distance of 3.7397 (10) A.

Synthesis, spectroscopic studies, crystal structure and conformation analysis of N-(2-fluoro-3-methoxy)-salicylaldimine

Abstract The new Schiff base ligand N-(2-fluoro-3-methoxy)-salicylaldimine (C14H12NO2F) (1) has been synthesised and studied by using, IR, 1H NMR, 13C NMR, UV-visible, GC-MS techniques, X-ray structure analysis and AM1 semi-empirical quantum mechanical methods. Compound 1 crystallises in the orthorhombic space group P212121 with a =12.5461(1), b =18.0495(1), c =5.2615(1) Å . An intramolecular hydrogen bond connects O1 and N1 [2.575(2)Å], the hydrogen atom being bonded essentially to the oxygen atom. Minimum energy conformations were calculated as a function of two torsion angles θ1 (C6-C7-C8-N1) and θ2 (C7-C8-N1-C9), varied every 10 degrees. The optimized geometry of the crystal structure corresponding to the non-planar conformation is the most stable conformation in all calculations. The results strongly indicate that the minimum energy conformation is primarily determined by hydrogen-hydrogen repulsions between the ortho-hydrogen atoms on the aldehyde rings. Complementary IR, 1H NMR and UV measurements in solution and in the solid state were carried out.

Crystal structure of pyridinium bis(naphthalane-2,3-diolato-κ2O,O′)borate monohydrate, C25H20BNO5

Abstract C25H20BNO5, triclinic, P1̅ (no. 2), a = 7.0868(6) Å, b = 10.3522(6) Å, c = 15.3140(10) Å, α = 74.088(7)°, β = 89.996(7)°, γ = 79.190(1)°, V = 1059.71(13) Å3, Z = 2, Rgt(F) = 0.0445, wRref(F2) = 0.1105, T = 298 K.

Crystal structure of aquadichlorido(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ3N,N′,N′′)nickel(II) monohydrate, C18H16Cl2N6NiO2

Abstract C18H16Cl2N6NiO2, monoclinic, P21/n (no. 14), a = 8.5737(6) Å, b = 11.4177(9) Å, c = 20.3031(16) Å, β = 99.309(3)°, V = 1961.3(3) Å3, Z = 4, Rgt(F) = 0.0479, wRref(F2) = 0.0865, T = 293 K.