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4,6-Dichloro-2-[(E)-(2-{[(E)-3,5-dichloro-2-oxidobenzyl-idene]aza-nium-yl}eth-yl)iminiumylmeth-yl]phenolate.

ABSTRACT: The asymmetric unit of the title compound, C(16)H(12)Cl(4)N(2)O(2), comprises half of a potentially tetra-dentate Schiff base ligand, located about a twofold rotation axis which bis-ects the central C-C bond of the ethane-1,2-diamine group. In the solid state, the compound exists in the zwitterionic form. There are two intra-molecular N-H?O hydrogen bonds making S(6) ring motifs. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming two-dimensional frameworks which lie parallel to (100). There are also short Cl?Cl [3.4395?(9)?Å] contacts present.

SUBMITTER: Kia R

PROVIDER: S-EPMC3394033 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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4,6-Dichloro-2-[(E)-(2-{[(E)-3,5-dichloro-2-oxidobenzyl-idene]aza-nium-yl}eth-yl)iminiumylmeth-yl]phenolate.

Kia Reza R Kargar Hadi H Adabi Ardakani Amir A Tahir Muhammad Nawaz MN

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

The asymmetric unit of the title compound, C(16)H(12)Cl(4)N(2)O(2), comprises half of a potentially tetra-dentate Schiff base ligand, located about a twofold rotation axis which bis-ects the central C-C bond of the ethane-1,2-diamine group. In the solid state, the compound exists in the zwitterionic form. There are two intra-molecular N-H⋯O hydrogen bonds making S(6) ring motifs. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming two-dimensional frameworks which lie parallel ...[more]

PMID: 22798898

Similar Datasets

2,4-Dibromo-6-[(E)-({3-[(E)-(3,5-dibromo-2-oxidobenzyl-idene)aza-nium-yl]-2,2-dimethyl-prop-yl}iminium-yl)meth-yl]phenolate.

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1-[((E)-{2-[(2-Nitro-benz-yl)(2-{[(E)-(2-oxidonaphthalen-1-yl)methyl-idene]aza-nium-yl}eth-yl)amino]-eth-yl}aza-niumyl-idene)meth-yl]naphthalen-2-olate monohydrate.

Project description:The title Schiff base compound, C(33)H(30)N(4)O(4)·H(2)O, adopts an E configuration with respect to each C=N double bond. In the mol-ecule, there are naphthoxide anions and the protonated imino N atoms. Intra-molecular 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, mol-ecules 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.

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2,4-Dichloro-6-({2-[(3,5-dichloro-2-hy-droxy-benzyl-idene)amino]-eth-yl}imino-meth-yl)phenol.

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Bis[eth-yl(2-hydroxy-ethyl)aza-nium] 2,2'-disulfanediyldibenzoate.

Project description:The asymmetric unit of the title salt, 2C(4)H(12)NO(+)·C(14)H(8)O(4)S(2) (2-), contains an eth-yl(2-hydr-oxy)aminium cation and half a 2,2'-disulfanediyldibenzoate anion, with the latter disposed about a twofold axis. The cation is a straight chain with the exception of the terminal hydr-oxy group [the N-C-C-O torsion angle is 66.5?(2)°]. A twisted conformation is found for the anion [the C-S-S-C torsion angle is 91.51?(9)° and the dihedral angle between the rings is 81.01?(4)°]. A supra-molecular chain with base vector [101] and a tubular topology is formed in the crystal structure mediated by charge-assisted O-H?O(-) and N(+)-H?O(-) hydrogen bonding.

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Project description:In the title hydrated mol-ecular salt, C(4)H(14)N(2)O(2+)·C(2)O(4) (2-)·H(2)O, the oxalate dianion is almost planar (r.m.s. deviation = 0.020?Å). In the crystal, the components are linked by N-H?O(water), N-H?O(oxalate) O-H(ammonium)?O(oxalate), O-H(water)?O(oxalate) and O-H(water)?O(ammonium) hydrogen bonds, thereby forming a complex three-dimensional packing motif.

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Crystal structure and fluorescence study of (μ-N-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl-idene]-N-{4-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl-idene-aza-nium-yl]phen-yl}aza-nium)bis-[di-fluorido-boron(IV)].

Project description:The title mol-ecule, C20H20B2F4N4, assumes a planar conformation with all atoms apart from the F atoms lying on the symmetry plane. Each boron atom is four-coordinated by two fluorine atoms, a pyrrole N atom and an imine N atom. Both imine CH=N groups adopt a trans conformation. In the crystal, the mol-ecules self-assemble into a pillar structure through C-H⋯F hydrogen bonds and π-π inter-actions. The UV-vis spectrum and fluorescence spectra of the title compound are also reported.

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Dichlorido[2-({[3-(cyclo-hexyl-aza-nium-yl)prop-yl]imino}-meth-yl)-5-meth-oxy-phenolate]zinc.

Project description:The title mononuclear zinc complex, [ZnCl(2)(C(17)H(26)N(2)O(2))], was obtained by the reaction of 2-hy-droxy-4-meth-oxy-benzaldehyde, N-cyclo-hexyl-propane-1,3-diamine and zinc chloride in methanol. The Zn(II) atom is four-coordinated by the phenolate O atom and imine N atom of the bidentate zwitterionic Schiff base ligand 2-{[3-(cyclo-hexyl-amino)-prop-yl]imino-meth-yl}-5-meth-oxy-phenol, and by two chloride ions, generating a distorted ZnONCl(2) tetra-hedral geometry. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains along the c-axis direction.

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Aqua-{2-[(3,5-dichloro-2-oxidobenzyl-idene)amino]-3-(4-hydroxy-phen-yl)propionato-?O,N,O}copper(II) sesquihydrate.

Project description:In the title compound, [Cu(C(16)H(11)Cl(2)NO(4))(H(2)O)]·1.5H(2)O, the Cu(II) atom is coordinated by two O atoms and one N atom from the 2-[(3,5-dichloro-2-oxidobenzyl-idene)amino]-3-(4-hydroxy-phen-yl)propionate ligand, and by the O atom from a water mol-ecule in a square-planar coordination. There are two formula units in the asymmetric unit. Molecules are further assembled into a three-dimensional network through C-H?Cl contacts, a Cu?Cl weak inter-action [3.161?(2)?Å], O-H?O and C-H?O hydrogen bonds. The three water mol-ecules of the asymmetric unit are distributed over five positions with one full and two approximately half occupancies, while a tyrosine side chain in one of the complex mol-ecules is disordered over two positions [occupancies 0.507?(5) and 0.493?(5)].

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