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
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
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
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
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)
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
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
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
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
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
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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