Abstract Two mononuclear copper(II) complexes of sulfanilamide; [CuL2(NO3)2(H2O)2] and [CuL2(NO3)2(H2O)] with L = 4-aminobenzensulfonamide; were synthesized and characterized using different physico-chemical studies: IR and UV-vis... more
Abstract Two mononuclear copper(II) complexes of sulfanilamide; [CuL2(NO3)2(H2O)2] and [CuL2(NO3)2(H2O)] with L = 4-aminobenzensulfonamide; were synthesized and characterized using different physico-chemical studies: IR and UV-vis spectra, single crystal X-ray diffraction (XRD), thermogravimetric analysis and electrochemical investigation. In the crystal structures of both complexes, sulfanilamide is found to exhibit a monodentate behaviour coordinating through the amino nitrogen atom. The Cu(II) ion exhibits a distorted octahedral environment in complex (1), while in compound (2) it presents trigonal bipyramidal geometry. The thermal behavior of (1) and (2) was also discussed using TGA/DTA and DSC curves which showed that both complexes acquire good stability at lower temperature. Thermogravimetric data have been utilized to assess the kinetic and thermodynamic parameters using Coats and Redfern integral equations. Electrochemical behavior of the sulfanilamide ligand and its copper(II) complexes (1) and (2) has been investigated at room temperature using cyclic voltammetry technique in DMSO. The Cu(II)/ Cu(I) redox system was found to be consistent with the quasi-reversible diffusion-controlled process. The antimicrobial activity of synthetized metal complexes against various tested organisms such as Gram positive (Staphylococcus aureus) and Gram negative (Escherichia coli and Pseudomonas aeruginosa) in different concentration reveals variable responses depending on the strain and the concentration of the compounds tested.
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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... more
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.
CCDC reference: 1416064 Supporting information: this article has supporting information at journals.iucr.org/e Crystal structure of 1,10-{(pentane-1,5-diyl)bis-
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Abstract An exhaustive description of the crystal structure, DFT, TD-DFT and redox properties of a non-symmetrical nickel complex NiLOH, N,N’-2,3-hydroxyphenol -2,3-dyil-bis (salicylideneimine)nickel(II), are reported. The complex... more
Abstract An exhaustive description of the crystal structure, DFT, TD-DFT and redox properties of a non-symmetrical nickel complex NiLOH, N,N’-2,3-hydroxyphenol -2,3-dyil-bis (salicylideneimine)nickel(II), are reported. The complex crystallizes, in the monoclinic crystal system, with P21/c space group. Oxygen-atom of the phenolic spacer contributes in hydrogen bonding forming a zigzag chain along a axis. Cyclic voltammetric study of the complex revealed a quasi-reversible process Ni(II)/Ni(I) on a glassy carbon electrode at E1/2 = -1371, -1312, -1305 mV/SCE in DMSO, CH3CN and DCM, respectively. From DFT calculations, the electronic properties of NiLOH complex and its reactivity with DNA bases, in polar and non-polar media, shows a good agreement with the experimental results. TD-DFT revealed that the absorption electronic states correspond to a mixture of metal to ligand charge transfer (d→π*) and intra-ligand charge transfer (π→π*) transitions. The NiLOH complex as catalyst proved to be catalytically active in the cyclohexene epoxidation reaction. The ligand and the NiLOH complex were scrutinized for their antibacterial activity in agar medium by the disc diffusion method against some Gram positive and Gram negative strains. Better inhibitory potential towards some examined bacteria was shown.
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The title compound, C21H22O2, crystallizes in its keto form. The molecules are connected via weak C—H...O interactions, forming infinite chains perpendicular to the [001] axis.
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Abstract Two new copper(II) complexes of sulfanilamide, namely [Cu3(C6H8N2O2S)4(C3H6NO)2Cl6]n (1) and [Cu(C6H8N2O2S)(C3H6NO)Cl2] (2), were synthesized and characterized by spectrometric methods, thermal analysis, single crystal X-ray... more
Abstract Two new copper(II) complexes of sulfanilamide, namely [Cu3(C6H8N2O2S)4(C3H6NO)2Cl6]n (1) and [Cu(C6H8N2O2S)(C3H6NO)Cl2] (2), were synthesized and characterized by spectrometric methods, thermal analysis, single crystal X-ray diffraction and electrochemical investigation. In the crystal structures of both complexes, sulfanilamide is found to exhibit a monodentate behaviour coordinating through the amino nitrogen atom. In complex (1), the Cu(II) ions are five and six-coordinated with a square pyramidal and a slightly distorted octahedral geometry, respectively. Both structure of 1 and 2 have a 1D polymeric nature. In complex (2), the Cu(II) cations are six-coordinated with a slightly distorted octahedral geometry. Important interactions upon the molecular packing were also performed by the analysis of their Hirshfeld surfaces and compared to the 2D-fingerprint plots. Thermal stability of these crystalline materials has been investigated by thermogravimetric and differential thermal analysis (TG– DTA) technique and DSC curves, which showed that both complexes have high thermal stability and are stable up to 500°C. Thermogravimetric data have been utilized to assess the kinetic and thermodynamic parameters such as ∆S, ∆H and ∆G were determined by using the Coats-Redfern method. The electrochemical process was carried out by cyclic voltammetry in DMSO/ lithium perchlorate (LiClO4) 10−1 M as an electrolyte support, the Cu(II)/ Cu(I) redox system was found to be consistent with the quasi-reversible diffusion-controlled process. The antimicrobial activity of synthetized metal complexes against various tested organisms such as Gram positive (Staphylococcus aureus) and Gram negative (Escherichia coli and Pseudomonas aeruginosa) in different concentration reveals variable responses depending on the strain and the concentration of the compounds tested.
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Abstract Two novel manganese (III) and iron (III) complexes of an N,N-bis(1-naphthalidimine)-o phenylene diamine ligand have been successfully synthesized and characterized by various analytical techniques including single crystal X-ray... more
Abstract Two novel manganese (III) and iron (III) complexes of an N,N-bis(1-naphthalidimine)-o phenylene diamine ligand have been successfully synthesized and characterized by various analytical techniques including single crystal X-ray structure analysis. The ligand crystallizes in the monoclinic system with space group P21/c. The detailed analyses of Hirschfeld surface and fingerprint plots provide insight into the nature of non-covalent interactions in the ligand. Experimental data have been complemented and interpreted in the light of Density Functional Theory calculation was performed using the B3LYP method concerning molecular geometries, vibrational frequencies and electrochemical potentials. Cyclic voltammetry in dimethylformamide revealed reversible redox processes in both complexes, suggesting possible catalytic reactivity involving electron transfer process for these complexes. The catalytic efficiency and selectivity of manganese (III) and iron (III) complexes was tested in the oxidation of cyclohexene with molecular oxygen. The results show that the catalytic performance depends on the nature of metal, the most efficient catalyst in the presence of O2beingthe iron (III) complex. A plausible mechanism for cyclohexene oxidation by complexes is proposed and discussed hereafter.
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The title compound, C30H32O2N2, is formed from two units ofortho-hydroxynaphthaldehyde bridged with 1,8-diaminooctane. In the solid state, it exists as a double zwitterion. The N atoms are protonated and the C—O−bonds lengths are... more
The title compound, C30H32O2N2, is formed from two units ofortho-hydroxynaphthaldehyde bridged with 1,8-diaminooctane. In the solid state, it exists as a double zwitterion. The N atoms are protonated and the C—O−bonds lengths are 1.265 (2) Å, with intramolecular N—H...O hydrogen bonds formingS(6) ring motifs. The molecule has twofold rotational symmetry, with the twofold axis bisecting the central –CH2—CH2– bond of the bridging octane chain. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains propagating along the [-201] direction. The chains are linkedviaC—H...O hydrogen bonds, forming a supramolecular three-dimensional framework structure.
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In the title compound, C20H14Br2N2O2, there are two intramolecular O—H...N hydrogen bonds formingS(6) ring motifs. The outer benzene rings are inclined to the central benzene ring by 39.09 (11) and 24.31 (11)°, and to one another by... more
In the title compound, C20H14Br2N2O2, there are two intramolecular O—H...N hydrogen bonds formingS(6) ring motifs. The outer benzene rings are inclined to the central benzene ring by 39.09 (11) and 24.31 (11)°, and to one another by 37.12 (11)°. In the crystal, molecules are linked by a short Br...O contact [3.1307 (19) Å], forming zigzag chains propagating along thea-axis direction. The chains are linked by weak offset π–π interactions [intercentroid distance = 3.716 (1) Å], forming layers parallel to theacplane.
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In the title compound, C12H8BrN3O, the 4-bromophenol ring is coplanar with the planar imidazo[4,5-b]pyridine moiety (r.m.s deviation = 0.015 Å), making a dihedral angle of 1.8 (2)°. There is an intramolecular O—H...N hydrogen bond forming... more
In the title compound, C12H8BrN3O, the 4-bromophenol ring is coplanar with the planar imidazo[4,5-b]pyridine moiety (r.m.s deviation = 0.015 Å), making a dihedral angle of 1.8 (2)°. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaN—H...N and O—H...Br hydrogen bonds, forming undulating sheets parallel to (10-2). The sheets are linked by π–π interactions [inter-centroid distance = 3.7680 (17) Å], involving inversion-related molecules, forming a three-dimensional structure.
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The whole molecule of the title compound, C27H26N2O2, is generated by twofold rotational symmetry, with the central C atom of the pentyl chain located on the twofold rotation axis. The compound crystallizes as a bis-zwitterion, and there... more
The whole molecule of the title compound, C27H26N2O2, is generated by twofold rotational symmetry, with the central C atom of the pentyl chain located on the twofold rotation axis. The compound crystallizes as a bis-zwitterion, and there are two intramolecular N—H...O hydrogen bonds generatingS(6) ring motifs. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming ribbons propagating along [001], and enclosingR22(22) ring motifs.
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The title compound, C34H40N2O2, exists in an extended conformation and has crystallographically imposed centrosymmetry. The crystal packing can be described as being composed of parallel layers stacked along [010]. The zwitterionic... more
The title compound, C34H40N2O2, exists in an extended conformation and has crystallographically imposed centrosymmetry. The crystal packing can be described as being composed of parallel layers stacked along [010]. The zwitterionic structure is stabilized by an intramolecular N—H...O hydrogen-bond interaction.
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Research Interests: Chemistry, Analytical Chemistry, Crystallography, Electrochemistry, Cyclic Voltammetry, and 12 moreMagnetic Resonance Spectroscopy, Medicine, Macromolecular X-Ray Crystallography, Crystal structure, Zinc, Schiff bases, Schiff Base, Benzene, Molecular Conformation, Electric Conductivity, Ligands, and proton magnetic resonance spectroscopy
The whole molecule of the title Schiff base compound, C28H28N2O2, is generated by inversion symmetry. It is formed from two units ofortho-hydroxynaphthaldehyde bridged with 1,6-diaminohexane. The N atoms are protonated and, thus, the... more
The whole molecule of the title Schiff base compound, C28H28N2O2, is generated by inversion symmetry. It is formed from two units ofortho-hydroxynaphthaldehyde bridged with 1,6-diaminohexane. The N atoms are protonated and, thus, the structure is a bis-zwitterionic compound in the solid state. The zwitterion shows strong intramolecular N—H...O hydrogen bonds between the iminium N and the naphthalenolate O atoms.
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In the title compound, C23H19N3O2, the dihedral angles formed by the pyrazolone ring with the three benzene rings are 30.91 (6), 60.96 (4) and 57.01 (4)°. The ligand is in the enamine–keto form and its structure is stabilized by an... more
In the title compound, C23H19N3O2, the dihedral angles formed by the pyrazolone ring with the three benzene rings are 30.91 (6), 60.96 (4) and 57.01 (4)°. The ligand is in the enamine–keto form and its structure is stabilized by an intramolecular N—H...O hydrogen bond. In the crystal, O—H...N hydrogen bonds link molecules into chains parallel to [01-1].
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The asymmetric unit of the title compound, C18H20N2O4, contains one-half molecule with an inversion center located at the centroid of the molecule. In the crystal, molecules are linked by C—H...π interactions, forming layers parallel to... more
The asymmetric unit of the title compound, C18H20N2O4, contains one-half molecule with an inversion center located at the centroid of the molecule. In the crystal, molecules are linked by C—H...π interactions, forming layers parallel to (101). An intramolecular O—H...N hydrogen bond also occurs.