Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-{[4-(4-{[(2-Oxidonaphthalen-1-yl)methyl-idene]aza-nium-yl}phen-oxy)phen-yl]iminiumylmeth-yl}naphthalen-2-olate.

ABSTRACT: The title Schiff base compound, C34H24N2O3, was prepared by a condensation reaction of bifunctional aromatic diamine (4,4'-diamino-diphenyl ether) with hy-droxy-naphtaldehyde. The asymmetric unit contains two independent mol-ecules with similar conformations. The compound contains a central oxygen bridge and two functionalized [(E)-(phenyl-iminio)meth-yl]naphthalen-2-olate units. The dihedral angles between the benzene rings linking to the central O atom are 74.64?(19) and 69.85?(18)° in the two independent mol-ecules. Intra-molecular O-H?O hydrogen bonding occurs between the protonated imino N atoms and deprotonated hy-droxy O atoms in both mol-ecules. In the crystal, weak C-H?O hydrogen bonds are observed.

SUBMITTER: Haffar D

PROVIDER: S-EPMC3629627 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-{[4-(4-{[(2-Oxidonaphthalen-1-yl)methyl-idene]aza-nium-yl}phen-oxy)phen-yl]iminiumylmeth-yl}naphthalen-2-olate.

Haffar Djahida D Daoud Djamel D Douadi Tahar T Bouzidi Leila L Chafaa Salah S

Acta crystallographica. Section E, Structure reports online 20130323 Pt 4

The title Schiff base compound, C34H24N2O3, was prepared by a condensation reaction of bifunctional aromatic diamine (4,4'-diamino-diphenyl ether) with hy-droxy-naphtaldehyde. The asymmetric unit contains two independent mol-ecules with similar conformations. The compound contains a central oxygen bridge and two functionalized [(E)-(phenyl-iminio)meth-yl]naphthalen-2-olate units. The dihedral angles between the benzene rings linking to the central O atom are 74.64 (19) and 69.85 (18)° in the two ...[more]

PMID: 23634114

Similar Datasets

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-Acet-oxy-3-(naphthalen-1-yl-oxy)prop-yl](propan-2-yl)aza-nium chloride monohydrate.

Project description:The title compound, C18H24NO3 (+)·Cl(-)·H2O, was synthesized by the reaction of propranolol hydro-chloride with acetyl chloride in chloro-form followed by slow evaporation in air. In the cation, the dihedral angle between the planes of the naphthalene ring system and the acetate group is 71.1 (2)°. An intra-molecular N-H⋯O hydrogen bond results in the formation of a non-planar pseudo-ring, with the ether O and the H atom displaced by -1.328 (2) and 0.65 Å, respectively, from the plane of the other ring atoms. The cation and anion are linked by an N-H⋯Cl hydrogen bond. The water molecule is linked to a methyl H atom by C-H⋯O hydrogen bond.

| S-EPMC3629540 | biostudies-literature

1,1'-{(Hexane-1,6-di-yl)bis-[(aza-niumylyl-idene)methanylyl-idene]}bis-(naphthalen-2-olate).

Project description:The whole molecule of the title Schiff base compound, C28H28N2O2, is generated by inversion symmetry. It is formed from two units of ortho-hy-droxy-naphthaldehyde bridged with 1,6-di-amino-hexane. The N atoms are protonated and, thus, the structure is a bis-zwitterionic compound in the solid state. The zwitterion shows strong intra-molecular N-H⋯O hydrogen bonds between the iminium N and the naphthaleno-late O atoms.

| S-EPMC4331877 | biostudies-literature

(2-Meth-oxy-benz-yl)(2-meth-oxy-benzyl-idene)aza-nium (2-meth-oxy-phen-yl)methanaminium tetra-chloridozincate(II) monohydrate.

Project description:The title compound, (C(8)H(12)NO)(C(16)H(18)NO(2))[ZnCl(4)]·H(2)O, was obtained as a by-product of the Zn(2+) and HCl catalyzed condensation of (2-meth-oxy-phen-yl)methanamine in water. Both cations feature an intra-molecular N-H?O hydrogen bond. In the crystal, the components are linked by an extensive three-dimensional network of N-H?O, O-H?Cl and N-H?Cl hydrogen bonds (three of them bifurcated). Weak C-H?O intera-ctions also occur.

| S-EPMC3006710 | biostudies-literature

Zwitterionic 1-{(E)-[(2-methyl-phen-yl)iminium-yl]meth-yl}naphthalen-2-olate.

Project description:The title Schiff base, C18H15NO, crystallizes in its zwitterionic form and an N-H?O hydrogen bond closes an S(6) ring. The dihedral angle between the aromatic ring systems is 36.91?(10)°. Weak aromatic ?-? stacking occurs in the crystal [minimum centroid-centroid separation = 3.7771?(15)?Å].

| S-EPMC4051036 | biostudies-literature

(Meth-oxy-methyl-idene)di-methyl-aza-nium tetra-phenyl-borate aceto-nitrile monosolvate.

Project description:In the cation of the title salt, C4H10NO(+)·C24H20B(-)·C2H3N, the C-N bond lengths are 1.2864 (16), 1.4651 (17) and 1.4686 (16) Å, indicating double- and single-bond character, respectively. The C-O bond length of 1.2978 (15) Å shows double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. C-H⋯π inter-actions are present between the methine H atom and two of the phenyl rings of the tetra-phenyl-borate ion. The latter forms an aromatic pocket in which the cation is embedded. The iminium ion is further connected through a C-H⋯N hydrogen bond to the aceto-nitrile mol-ecule. This leads to the formation of a two-dimensional supramolecular pattern along the bc plane.

| S-EPMC3998454 | biostudies-literature

(But-oxy-methyl-idene)di-methyl-aza-nium tetra-phenyl-borate aceto-nitrile monosolvate.

Project description:In the title solvated salt, C7H16NO(+)·C24H20B(-)·C2H3N, the C-N bond lengths in the cation are 1.2831 (19), 1.467 (2) and 1.465 (2) Å, indicating double- and single-bond character, respectively. The C-O bond length of 1.2950 (18) Å shows a double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. The two C atoms of the n-butyl group are disordered over the two sites, with refined occupancy ratios of 0.890 (5):0.110 (5) and 0.888 (4):0.112 (4). In the crystal, C-H⋯π inter-actions occur between the methine H atom, H atoms of the -N(CH3)2 and -CH2 groups of the cation, and two of the phenyl rings of the tetra-phenyl-borate anion. The latter inter-action forms an aromatic pocket in which the cation is embedded. Thus, a two-dimensional pattern is created in the ac plane.

| S-EPMC3998583 | biostudies-literature

Crystal structure of 1,1'-{(dodecane-1,12-di-yl)bis-[(aza-niumylyl-idene)methanylyl-idene]}bis-(naphthalen-2-olate).

Project description: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 intra-molecular N-H?O hydrogen-bond inter-action.

| S-EPMC4420129 | biostudies-literature

Crystal structure of 1,1'-{(pentane-1,5-di-yl)bis[(aza-niumylyl-idene)methanylyl-idene]}bis(naphthalen-2-olate).

Project description:The whole mol-ecule 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 intra-molecular N-H⋯O hydrogen bonds generating S(6) ring motifs. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming ribbons propagating along [001], and enclosing R 2 (2)(22) ring motifs.

| S-EPMC4555373 | biostudies-literature

2-[(Di-methyl-phenyl-phosphanyl-idene)aza-nium-yl]-5-methyl-benzene-sulfonate benzene monosolvate.

Project description:The title compound, C15H18NO3PS·C6H6, is a rare example of a crystallographically characterized exocyclic phosphiniminium-arene-sulfonate zwitterion, which crystallises as its benzene solvate. The crystal structure shows that the N atom is protonated and that the iminium H atom forms both intra- and inter-molecular hydrogen bonds to the single-bonded sulfonate O atom in an R 2 (2)(4) graph-set motif. The dihedral angle between the aromatic rings in the main molecule is 89.49 (8)°.

| S-EPMC3685103 | 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