Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ACCESS DATA

Json Xml

Publications

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.

Project description:In the title mol-ecule, C(19)H(18)Br(4)N(2)O(2), the dihedral angle between the benzene rings is 73.9?(2)°. Two intra-molecular N-H?O hydrogen bonds make S(6) ring motifs. In the crystal, mol-ecules are linked via C-H?O inter-actions, forming chains propagating along the a-axis directon. A short C?Br [3.401?(5)?Å] contact is present in the crystal structure, which is further stabilized by a ?-? inter-action [centroid-centroid distance = 3.739?(3)?Å].

| S-EPMC3275012 | biostudies-literature

2-[(5-Chloro-2-oxidobenzyl-idene)aza-nium-yl]-2-methyl-propane-1,3-diol.

Project description:The title compound, C(11)H(14)ClNO(3), was prepared by the condensation of equimolar quanti-ties of 5-chloro-salicyl-aldehyde and 2-amino-2-methyl-propane-1,3-diol in methanol. In the crystal, it exists in the zwitterionic form, with nominal proton transfer from the phenol group to the imine N atom. This results in the formation of an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring. Inter-molecular O-H⋯O hydrogen bonds arise from the hy-droxy groups, forming (001) sheets.

| S-EPMC3274988 | biostudies-literature

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.

| S-EPMC3238971 | biostudies-literature

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

Project description:The title mol-ecule, C(16)H(12)Cl(4)N(2)O(2), lies about an inversion center. The symmetry-unique part of the mol-ecule contains an intra-molecular O-H?N hydrogen bond. In the crystal, mol-ecules are arranged in corrugated layers parallel to (-101). Weak ?-? stacking inter-actions, with a centroid-centroid diatance of 3.7923?(13)?Å, are present.

| S-EPMC3379294 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(18)H(16)Cl(4)N(2)O(2), comprises half of a potentially tetra-dentate Schiff base ligand. It is located about a twofold rotation axis that bis-ects the central C-C bond of the butane-1,4-diamine group. There are two intra-molecular O-H⋯N hydrogen bonds making S(6) ring motifs. In the crystal, mol-ecules are linked by pairs of weak C-H⋯Cl inter-actions, forming inversion dimers, which are further connected by C-H⋯O hydrogen bonds into two-dimensional frameworks that lie parallel to (001).

| S-EPMC3394034 | biostudies-literature

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.

| S-EPMC2983623 | biostudies-literature

2-[(2-Hy-droxy-eth-yl)aza-nium-yl]ethanaminium oxalate monohydrate.

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.

| S-EPMC3275022 | biostudies-literature

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.

| S-EPMC7869554 | biostudies-literature

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)].

| S-EPMC2961633 | biostudies-literature

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.

| S-EPMC3212160 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data