Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-{1,1'-[Pentane-1,5-diyl-bis(oxy-nitrilo)]-diethyl-idyne}diphenol.

ABSTRACT: In the title compound, C(21)H(26)N(2)O(4), there is half a mol-ecule in the asymmetric unit with a crystallographic twofold rotation axis passing through the central C atom of the -CH=N-O-(CH(2))(5)-O-N=CH- bridge. The dihedral angle formed by the two benzene rings is 80.85?(2)°. Strong intra-molecular O-H?N and C-H?O hydrogen bonds help to establish the molecular conformation. There are also weak inter-molecular ?-? stacking inter-actions between neighbouring benzene rings [centroid-centroid separation = 3.502?(3)?Å].

SUBMITTER: Dong WK

PROVIDER: S-EPMC2959680 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2'-{1,1'-[Pentane-1,5-diyl-bis(oxy-nitrilo)]-diethyl-idyne}diphenol.

Dong Wen-Kui WK Lv Zhong-Wu ZW He Xue-Ni XN Guan Yong-Hong YH Tong Jun-Feng JF

Acta crystallographica. Section E, Structure reports online 20081004 Pt 11

In the title compound, C(21)H(26)N(2)O(4), there is half a mol-ecule in the asymmetric unit with a crystallographic twofold rotation axis passing through the central C atom of the -CH=N-O-(CH(2))(5)-O-N=CH- bridge. The dihedral angle formed by the two benzene rings is 80.85 (2)°. Strong intra-molecular O-H⋯N and C-H⋯O hydrogen bonds help to establish the molecular conformation. There are also weak inter-molecular π-π stacking inter-actions between neighbouring benzene rings [centroid-centroid se ...[more]

PMID: 21580925

Similar Datasets

6,6'-Dihydr-oxy-2,2'-[(pentane-1,5-diyl-dioxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(19)H(22)N(2)O(6), assumes a W-shaped configuration with the dihedral angle between the two halves of the mol-ecule being 82.48?(5)°. There is one half-mol-ecule in the asymmetric unit with a crystallographic twofold rotation axis passing through the central C atom of the five methylene groups in the [-CH=N-O-(CH(2))(5)-O-N=CH-] bridge. The dihedral angle formed by the two benzene rings in each mol-ecule of the title compound is 84.18?(4)°. There are strong intra-molecular O-H?N and O-H?O hydrogen bonds and weak inter-molecular ?-? stacking inter-actions between neighbouring benzene rings, and the inter-molecular plane-to-plane distances are 3.488?(2) and 3.841?(3)?Å along the b and c axes, respectively. In the crystal structure, inter-molecular O-H?O hydrogen bonds link each mol-ecule to two others, forming an infinite three-dimensional supra-molecular structure.

| S-EPMC2962213 | biostudies-literature

5,5'-Dimeth-oxy-2,2'-[(pentane-1,5-diyl-dioxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(21)H(26)N(2)O(6), which lies across a crystallographic inversion centre, crystallizes with two unique half-molecules in the symmetric unit and adopts a linear configuration and the imino group is coplanar with the aromatic ring, making a dihedral angle of 3.26?(3)°. Strong intra-molecular O-H?N and weak inter-molecular O-H?O and C-H?O hydrogen bonds and weak inter-molecular ?-? stacking inter-actions [centroid-centroid distance = 4.419?(2)?Å]establish an infinite three-dimensional supra-molecular structure.

| S-EPMC2977826 | biostudies-other

2,2'-Dichloro-1,1'-[(pentane-1,5-diyldi-oxy)bis-(nitrilo-methyl-idyne)]dibenzene.

Project description:The mol-ecule of the title compound, C(19)H(20)Cl(2)N(2)O(2), which lies across a crystallographic inversion centre, adopts a linear configuration. The dihedral angle between the two halves of the mol-ecule is 5.14?(2)°. In the crystal structure, inter-molecular C-H?O hydrogen bonds link neighbouring mol-ecules into an infinite zigzag chain supra-molecular structure.

| S-EPMC2977418 | biostudies-literature

{2,2'-[1,1'-(3-Aza-pentane-1,5-diyl-dinitrilo)diethyl-idyne]diphenolato}(piperidine)cobalt(III) tetra-phenyl-borate.

Project description:The title compound, [Co(C(20)H(23)N(3)O(2))(C(5)H(11)N)](C(24)H(20)B) or [Co{(Me-sal)(2)dien}(pprdn)]BPh(4), where (Me-sal)(2)dien is 2,2'-[1,1'-(3-aza-pentane-1,5-diyldinitrilo)diethyl-idyne]diphenolate and pprdn is piperidine, contains a penta-dentate (Me-sal)(2)dien ligand furnishing an N(3)O(2) set, such that two of the N and one of the O atoms of the salicyl-idene rings define three positions of an equatorial plane, whereas the secondary amine N atom and the other O atom of the salicyl-idene lie in axial positions. The piperidine ligand occupies an equatorial position trans to one of the imine N atoms of the salicyl-idene. In the observed conformation of the penta-dentate ligand, the salicyl-idene rings attain asymmetrical positions owing to the structural demands. The geometry of the resulting CoN(4)O(2) coordination can be described as distorted octa-hedral. The asymetric unit contains two formula units.

| S-EPMC2960776 | biostudies-literature

6,6'-Dieth-oxy-2,2'-[propane-1,2-diyl-bis(nitrilo-methyl-idyne)]diphenol.

Project description:In the title mol-ecule, C(21)H(26)N(2)O(4), the dihedral angle between the two benzene rings is 88.4?(3)°. Two fairly strong intra-molecular O-H?N hydrogen bonds may, in part, influence the mol-ecular conformation.

| S-EPMC2968515 | biostudies-literature

2,2'-{1,1'-[Pentane-1,5-diylbis(oxy-nitrilo)]diethylidyne}di-1-naphthol.

Project description:The title compound, C(29)H(30)N(2)O(4), adopts a distorted Z configuration with respect to the oxime group, which is almost coplanar with the adjacent naphthalene ring [dihedral angle = 4.11?(2)°]. There is one half-mol-ecule in the asymmetric unit, with a crystallographic twofold rotation axis passing through the central C atom of the -CH=N-O-(CH)(5)-O-N=CH- bridge. Within the mol-ecule, the dihedral angle formed by the two naphthalene rings is 79.08?(3)°, and there are two intra-molecular O-H?N hydrogen bonds.

| S-EPMC2969628 | biostudies-literature

6,6'-Dieth-oxy-2,2'-[propane-1,3-diyl-dioxy-bis(nitrilo-methyl-idyne)]diphenol.

Project description:The complete mol-ecule of the title compound, C(21)H(26)N(2)O(6), is generated by a crystallographic twofold axis and adopts a trans configuration with respect to the azomethine group. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 89.53?(3)°. In the mol-ecular structure, pairs of intra-molecular O-H?N hydrogen bonds generate two six-membered rings. The crystal structure is further stabilized by inter-molecular C-H?O hydrogen bonds, which link four adjacent mol-ecules into a network structure.

| S-EPMC2983666 | biostudies-literature

6,6'-Dihydr-oxy-2,2'-[(propane-1,3-diyl-dioxy)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(17)H(18)N(2)O(6), adopts a V-shaped conformation, the dihedral angle between the two halves of the mol-ecule being 81.31?(4) °. There is one half-mol-ecule in the asymmetric unit, with a crystallographic twofold rotation axis passing through the central C atom. There are strong intra-molecular O-H?N and O-H?O hydrogen bonds involving the hydr-oxy group and adjacent O and N atoms. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules, forming an infinite three-dimensional supra-molecular structure.

| S-EPMC2960728 | biostudies-literature

2,2'-[1,1'-(Decane-1,10-diyldioxy-dinitrilo)diethyl-idyne]diphenol.

Project description:The salen-type bis-oxime title compound, C(26)H(36)N(2)O(4), lies about a crystallographic inversion centre. Classical intra-molecular O-H?N hydrogen bonds generate two S(6) ring motifs. In the crystal structure, pairs of weak inter-molecular C-H?O hydrogen bonds link adjacent mol-ecules into an infinite one-dimensional supra-molecular structure.

| S-EPMC2977177 | biostudies-literature

2,2'-[1,1'-(Propane-1,3-diyldioxy-dinitrilo)diethyl-idyne]diphenol.

Project description:The title compound, C(19)H(22)N(2)O(4), was synthesized by the reaction of 2'-hydroxy-acetophenone with 1,3-bis-(amino-oxy)propane in ethanol. Intra-molecular O-H?N and weak C-H?O hydrogen bonds stabilize the three-dimensional structure. A twofold rotation axis passes through the molecule.

| S-EPMC2961531 | 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