105 research outputs found

    1-[((E)-{2-[(2-Nitro­benz­yl)(2-{[(E)-(2-oxidonaphthalen-1-yl)methyl­idene]aza­nium­yl}eth­yl)amino]­eth­yl}aza­niumyl­idene)meth­yl]naphthalen-2-olate monohydrate

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    The title Schiff base compound, C33H30N4O4·H2O, adopts an E configuration with respect to each C=N double bond. In the mol­ecule, there are naphthoxide anions and the protonated imino N atoms. Intra­molecular N—H⋯O hydrogen bonds lead to the formation of approximately planar (maximum deviation 0.029 Å for H atom) six-membered rings.. In the crystal, mol­ecules are linked by O—H⋯O and N—H⋯O hydrogen bonds as well as C—H⋯O contacts, leading to the formation of a three-dimensional network

    Bis[2-(2-amino­ethyl­amino)­ethanol]copper(II) dinitrate

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    In the title compound, [Cu(C4H12N2O)2](NO3)2, the central CuII atom has a distorted octa­hedral coordination geometry and is surrounded by four N atoms and two O atoms from the two inversion-related 2-(2-amino­ethyl­amino)­ethanol ligands. In the crystal, mol­ecules are held together by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds, leading to the formation of a three-dimensional network

    Methyl 2-{2-[(E)-(2-hy­droxy-3-meth­oxy­benzyl­idene)amino]­ethyl­amino}­cyclo­pentene-1-carbodithio­ate

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    In the title Schiff base compound, C17H22N2O2S2, which adopts an E configuration with respect to the imine C=N double bond, the C=N and N—C bond distances are 1.2789 (16) and 1.4546 (16) Å, respectively. In the mol­ecule there are intra­molecular O—H⋯N and N—H⋯S hydrogen bonds, and the CH=N—C substituent is almost coplanar with the benzene ring [C—N—C—C torsion angle = −178.80 (11)°]. The crystal packing is stabilized by inter­molecular C—H⋯O and C—H⋯π inter­actions involving the aromatic ring

    New 5-bromo-2-hydroxybenzaldehyde S-ethylisothiosemicarbazone and its mixed-ligand Cu(II) complex with imidazole: synthesis, characterization and DFT calculation

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    Abstract A new Schiff base ligand of 5-bromo-2-hydroxybenzaldehyde S-ethyl-isothiosemicarbazone (H2L) was synthesized and its mixed-ligand Cu(II) complex was also prepared by reaction of Cu(NO3)2·3H2O with H2L and imidazole. Their structures were fully characterized by elemental analysis, FT-IR, molar conductivity and UV-Vis methods. The analytical data suggest that the metal, H2L and imidazole ratios in the Schiff base complex are 1:1:1. Single crystal diffraction was also used to better understand the molecular structure of the Cu(II) complex. The results of physico-chemical analyses of the Schiff base complex reveal the coordination geometry around the central atom is square planar. The H2L ligand (NNO donor) is coordinated to the metal center as a tridentate bionegatively agent. Another position of the square planar geometry is occupied by the imidazole ligand. Furthermore, computational studies of the new complex were performed by carrying out DFT calculations. Geometry optimization and natural band analysis of the complex is discussed in further detail

    Bis[1-(2-eth­oxy­phen­yl)-3-(4-nitro­phen­yl)triazenido]mercury(II)

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    In the title compound, [Hg(C14H13N4O3)2], the central Hg atom (site symmetry 2) is six-coordinated by two tridentate 1-(2-eth­oxy­phen­yl)-3-(4-nitro­phen­yl)triazenide ligands through two N and one O atoms. The mononuclear complex mol­ecules are connected into two parallel chains by inter­molecular C—H⋯O hydrogen-bonding inter­actions. These chains are connected to each other by face-to-edge C—H⋯π inter­actions between the CH of the ethoxy groups and the aromatic rings, resulting in a two-dimensional architecture in the ac plane

    N-(3-Fluoro­benzo­yl)-N′,N′′-bis­(4-methyl­phen­yl)phospho­ric triamide

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    In the title compound, C21H21FN3O2P, the NH and P(=O) groups of the C(=O)NHP(=O) fragment are in a syn arrangement with respect to each other, as are the two amide H atoms of the two CH3–4-C6H4–NH moieties. In the crystal, mol­ecules are linked through N—H⋯O(=P) and N—H⋯O(=C) hydrogen bonds, forming R 2 2(8) and R 2 2(12) rings, which are arranged in chains parallel to [010]

    [(Z)-1-({3-[(3-Amino­prop­yl)(2-nitro­benz­yl)amino]­prop­yl}imino­meth­yl)naphthalen-2-olato]copper(II) perchlorate

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    In the title compound, [Cu(C24H27N4O3)]ClO4, the CuII atom has a distorted square-planar coordination geometry and is surrounded by an N3O donor set composed of a secondary amine N, a primary amine H, an imino N and a naphthalen-2-olate O atom. An intra­molecular N—H⋯O hydrogen bond occurs. In the crystal, mol­ecules are held together by inter­molecular N—H⋯O hydrogen bonds, leading to the formation of a three-dimensional network

    3-(4-Bromo­anilino)-3-(4-chloro­phen­yl)-1-phenyl­propan-1-one

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    The asymmetric C atom in the title compound, C21H17BrClNO, is in a slightly distorted tetra­hedral environment and the NH unit adopts a gauche orientation with respect to the CO group. In the crystal, pairs of inter­molecular N—H⋯O hydrogen bonds form centrosymmetric dimers

    Diphenyl (cyclo­pentyl­amido)­phospho­nate

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    In the title mol­ecule, C17H20NO3P, the P atom is bonded in a distorted tetra­hedral environment. The dihedral angle between the two phenyl rings is 23.52 (10)°. The phosphoryl and N—H groups are anti with respect to one another. The –CH2–CH2–CH2–CH2– sequence of atoms in the cyclo­pentyl ring is disordered over two sets of sites with refined occupancies of 0.574 (10) and 0.426 (10). In the crystal, mol­ecules are linked via N—H⋯O=P hydrogen bonds to form extended chains along [010]

    N,N′-Dibenzyl-N,N′-dimethyl-N′′-(methyl­sulfon­yl)phospho­ric triamide

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    In the title compound, C17H24N3O3PS, the P and the S atoms are each in a distorted tetra­hedral environment and the N atoms display sp 2 character. The phosphoryl group and the NH unit are anti with respect to one another. The dihedral angle between the mean planes of the benzene rings is 31.08 (8)°. The crystal packing is stabilized by N—H⋯O hydrogen bonds, forming an extended chain parallel to the b axis
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