Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6,6'-Dimeth-oxy-2,2'-[pyridine-2,3-diylbis(nitrilo-methyl-idyne)]diphenol.

ABSTRACT: In the title compound, C(21)H(19)N(3)O(4), two intramolecular N-H?O hydrogen bonds generate two six-membered rings. The dihedral angles between the central heterocyclic ring and the two pendant rings are 61.5?(2) and 63.5?(1)°.

SUBMITTER: Li Q

PROVIDER: S-EPMC2980064 | biostudies-other | 2009 Dec

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

6,6'-Dimeth-oxy-2,2'-[pyridine-2,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Li Qiuhong Q

Acta crystallographica. Section E, Structure reports online 20091209 Pt 1

In the title compound, C(21)H(19)N(3)O(4), two intramolecular N-H⋯O hydrogen bonds generate two six-membered rings. The dihedral angles between the central heterocyclic ring and the two pendant rings are 61.5 (2) and 63.5 (1)°. ...[more]

PMID: 21580171

Similar Datasets

{6,6'-Dimeth-oxy-2,2'-[6-bromo-pyridine-2,3-diylbis(nitrilo-methyl-idyne)]-diphenol-ato}-copper(II) methanol solvate.

Project description:In the title compound, [Cu(C(21)H(16)BrN(3)O(4))]·CH(3)OH, the Cu(II) ion is coordinated by two N [Cu-N = 1.814?(3) and 1.917?(3)?Å] and two O [Cu-O = 1.805?(3) and 1.893?(3)?Å] atoms from the tetra-dentate Schiff base ligand in a distorted square-planar geometry. In the crystal structure, the approximately planar Cu complex mol-ecules are paired into centrosymmetric dimers with short inter-molecular Cu?N distances of 3.162?(3)?Å. Weak O---H...O hydrogen bonds may help to stabilize the structure.

| S-EPMC2968687 | biostudies-literature

6,6'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), exhibits two crystallographically independent mol-ecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are -0.037 (4), 0.013 (4), -0.021 (5), and 0.008 (5) Å. The dihedral angles between the benzene rings in the two mol-ecules are 53.64 (17) and 51.93 (17)°. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethyl-propane groups, with H⋯N distances between 2.54 and 2.75 Å. The crystal structure is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds, weak inter-molecular C-H⋯π inter-actions and π-π contacts involving the imine C atom and two C atoms from the adjacent benzene rings.

| S-EPMC2967940 | biostudies-literature

Redetermination of 6,6'-dimeth-oxy-2,2'-[hexane-1,6-diylbis(nitrilo-dimethyl-idyne)]diphenol.

Project description:The title compound, C(22)H(28)N(2)O(4), contains two independent centrosymmetric mol-ecules (A and B). In the previous structure determination [Xia et al. (2007 ?). Acta Cryst. E63, o259] both A and B were modelled as neutral mol-ecules with the H atoms of the the O-H groups included in calculated positions. In this redetermination, the transferrable H atoms were located in difference maps and freely refined, indicating that one mol-ecule (A) crystallizes in the neutral (nonzwitterionic) form and the other in the zwitterionic form, namely 6,6'-dimeth-oxy-2,2'-[hexane-1,6-diylbis(nitrilo-dimethyl-idyne)]-di-phenol-6,6'-dimeth-oxy-2,2'-[hexane-1,6-diylbis(nitrilio-di-methyl-idyne)]diphenolate (1/1). This finding is supported by significant differences in the C-O(H) (A) and C-O(-) (B) bond lengths. In the crystal, the zwitterionic mol-ecules (B) are involved in inter-molecular N-H?O hydrogen bonds forming one-dimensional chains along [001]. Each independent mol-ecule forms an intra-molecular O-H?N (A) or N-H?O (B) hydrogen bond. In mol-ecule B, one of the -CH(2)- groups is disordered over two sets of sites with refined occupancies of 0.659?(8) and 0.341?(8).

| S-EPMC3151875 | biostudies-other

6,6'-Dimeth-oxy-2,2'-[(cyclo-hexane-1,2-di-yl)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(22)H(26)N(2)O(4), has two azomethine linkages, both of which are in an E configuration. The cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the benzene rings is 66.57?(9)°. The mol-ecular structure is stabilized by two intra-molecular O-H?N hydrogen bonds.

| S-EPMC3008137 | biostudies-literature

6,6'-Dimeth-oxy-2,2'-[4,5-dimethyl-o-phenyl-enebis(nitrilo-methyl-idyne)]diphenol monohydrate.

Project description:In the title compound, C(24)H(24)N(2)O(4)·H(2)O, the dihedral angles between the central benzene ring and the two outer benzene rings of the Schiff base are 65.06?(9) and 3.02?(9)°. Strong intra-molecular O-H?N hydrogen bonds generate S(6) ring motifs. The H atoms of the water mol-ecule act as donors in the formation of bifurcated O-H?(O,O) inter-molecular hydrogen bonds with the O atoms of the hydr-oxy and meth-oxy groups with R(1) (2)(5) ring motifs; these may influence the mol-ecular conformation.

| S-EPMC2983671 | biostudies-literature

Aqua-{6,6'-dimeth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II).

Project description:The title complex, [Ni(C(18)H(18)N(2)O(4))(H(2)O)], lies on a mirror plane with the Ni(II) ion coordinated by two N and two O atoms of a tetra-dentate Schiff base ligand and one water O atom in a distorted square-pyramidal enviroment. The -CH(2)-CH(2)- group of the ligand is disordered equally over two sites about the mirror plane. The dihedral angle between the mean planes of the two symmetry-related chelate rings is 37.16?(6)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link complex mol-ecules into one-dimensional chains along [100] and these chains are linked, in turn, by very weak inter-molecular C-H?O hydrogen bonds into a two-dimensional network.

| S-EPMC2970327 | biostudies-literature

Aqua{6,6'-dimeth-oxy-2,2'-[propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}copper(II).

Project description:In the asymmetric unit of the title compound, [Cu(C(19)H(20)N(2)O(4))(H(2)O)], there are two independent mononuclear Cu(II) complexes. The coordination environment of each Cu(II) ion is square-pyramidal completed by two N atoms and two O atoms forming the basal plane, and one O atom of the water mol-ecule occupying the apical position. Neighbouring complexes are connected via O-H?O hydrogen bonds between the water mol-ecule and the meth-oxy group, forming a chain structure along the a axis. The propyl-ene groups of the two independent complexes are disordered over two positions with site occupancies of 0.361?(7):0.639?(7) and 0.224?(8):0.776?(8). The crystal under investigation was a partial inversion twin.

| S-EPMC2971379 | biostudies-literature

6,6'-Dimeth-oxy-2,2'-[p-phenyl-ene-bis(nitrilo-methyl-idyne)]diphenol chloro-form disolvate.

Project description:The title compound, C(22)H(20)N(2)O(4)·2CHCl(3), a new Schiff base compound, lies across a crystallographic inversion centre. An intra-molecular O-H?N hydrogen bond generates a six-membered ring, producing an S(6) ring motif. Inter-molecular bifurcated C-H?O hydrogen bonds involving the two O atoms of the Schiff base ligand and the H atom of the chloro-form solvent of crystallization, generate an R(2) (1)(5) ring motif. The crystal structure is stabilized by inter-molecular C-H?? and ?-? inter-actions [centroid to centroid distance = 3.6158?(10)?Å]. In the crystal structure, mol-ecules are stacked down the c axis.

| S-EPMC2969051 | biostudies-literature

{?-6,6'-Dimeth-oxy-2,2'-[propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}trinitratocopper(II)europium(III).

Project description:In the title complex, [CuEu(C(19)H(20)N(2)O(4))(NO(3))(3)], the Cu(II) ion is four-coordinated in a square-planar geometry by two O atoms and two N atoms of the deprotonated Schiff base. The Eu(III) atom is ten-coordinate, chelated by three nitrate groups and linked to the four O atoms of the deprotonated Schiff base.

| S-EPMC2960587 | biostudies-literature

A second tricilinc polymorph of 6,6'-dieth-oxy-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), is a second triclinic polymorph of a previously reported room-temperature structure [Jia (2009 ▶). Acta Cryst. E65, o646]. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. Inter-molecular C-H⋯O inter-actions link neighbouring mol-ecules into dimers with an R(2) (2)(16) ring motif. The mean planes of the two benzene rings are almost perpendicular to each other, making a dihedral angle of 88.24 (5)°. An inter-esting feature of the crystal structure is the intermolecular short C⋯O [3.1878 (13) Å] contact which is shorter than the sum of the van der Waals radii of the relevant atoms. The crystal structure is further stabilized by inter-molecular C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.7414 (6) Å]. The structure has a stereogenic centre but the space group is centrosymmetric, so the mol-ecule exists as a racemate.

| S-EPMC2968989 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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