Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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.

ABSTRACT: 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.

SUBMITTER: Menati S

PROVIDER: S-EPMC3238971 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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.

Menati Saeid S Amiri Rudbari Hadi H Azadbakht Reza R Bruno Giuseppe G

Acta crystallographica. Section E, Structure reports online 20111116 Pt 12

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 ...[more]

PMID: 22199820

Similar Datasets

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

Project description: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.

| S-EPMC3629627 | 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

(E)-(2,5-Difluoro-benz-yl)[(2-eth-oxy-naphthalen-1-yl)methyl-idene]amine.

Project description:In the title mol-ecule, C20H17F2NO, which adopts an E conformation with respect to the imine C=N double bond, the mean planes of the naphthalene ring system and the difluoro-phenyl ring form a dihedral angle of 85.82 (7)°. An intra-molecular C-H⋯N hydrogen bond occurs. In the crystal, weak C-H⋯F hydrogen bonds link the mol-ecules into zigzag chains along [010].

| S-EPMC3588433 | 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

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

Project description: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.

| S-EPMC3394033 | 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

Bis[(diamino-methyl-idene)aza-nium] 5-(1-oxido-1H-1,2,3,4-tetra-zol-5-yl)-1H-1,2,3,4-tetra-zol-1-olate.

Project description:The anion of the title salt, 2[C(NH(2))(3)](+)·C(2)N(8)O(2) (2-), lies on a center of inversion and its two five-membered rings are coplanar. The guanidinium cation forms N-H?O and N-H?N hydrogen bonds to the anion, generating an eight-membered ring. Other hydrogen bonds lead to the formation of a three-dimensional network.

| S-EPMC3344506 | biostudies-other

Crystal structure of (eth-oxy-ethyl-idene)di-methyl-aza-nium ethyl sulfate.

Project description:In the title salt, C6H14NO(+)·C2H5SO4 (-), the C-N bond lengths in the cation are 1.2981 (14), 1.4658 (14) and 1.4707 (15) Å, indicating double- and single-bond character, respectively. The C-O bond length of 1.3157 (13) Å shows double-bond character, indicating charge delocalization within the NCO plane of the iminium ion. In the crystal, C-H⋯O hydrogen bonds between H atoms of the cations and O atoms of neighbouring ethyl sulfate anions are present, generating a three-dimensional network.

| S-EPMC4719878 | 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