Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Sun YX

PROVIDER: S-EPMC2969628 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Sun Yin-Xia YX Wu Jian-Chao JC Dong Wen-Kui WK Gong Shang-Sheng SS Tong Jun-Feng JF

Acta crystallographica. Section E, Structure reports online 20090514 Pt 6

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⋯ ...[more]

PMID: 21583105

Similar Datasets

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

Project description: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].

| S-EPMC2959680 | biostudies-literature

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'-[Butane-1,4-diyl-bis(oxy-nitrilo)]di-ethylidyne}di-1-naphthol.

Project description:The title compound, C(28)H(28)N(2)O(4), was synthesized by the reaction of 2-acetyl-1-naphthol with 1,4-bis-(amino-oxy)butane in ethanol. The molecule, which lies about an inversion centre, adopts a linear structure, in which the oxime groups and naphthalene ring systems assume an anti conformation. The intra-molecular inter-planar distance between parallel naphthalene rings is 1.054?(3)?Å. Intra-molecular O-H?N hydrogen bonds are formed between the oxime nitro-gen and hydr-oxy groups.

| S-EPMC2969537 | biostudies-literature

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

2,2'-[Naphthalene-1,5-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(24)H(18)N(2)O(2), lies about an inversion centre and the asymmetric unit contains one half-mol-ecule. An intra-molecular O-H?N hydrogen bond generates a six-membered ring, producing an S(6) ring motif. The crystal packing exhibits inter-molecular ?-? stacking inter-actions between the aromatic rings with a centroid-centroid distance of 3.851?(2)?Å.

| S-EPMC3152037 | biostudies-literature

{2,2'-[3-Aza-pentane-1,5-diylbis(nitrilo-methyl-idyne)]dipyrrol-1-yl}(4-methyl-pyridine)cobalt(III) tetra-phenyl-borate.

Project description:The title compound, [Co(C(14)H(17)N(5))(C(6)H(7)N)](C(24)H(20)B) or [Co{(pyrrole)(2)dien}(4-Mepy)]BPh(4) where (pyrrole)(2)dien is 2,2'-[(3-aza-pentane-1,5-diylbis(nitrilo-methyl-idyne)]dipyrrole and 4-Mepy is 4-methyl-pyridine, contains a penta-dentate (pyrrole)(2)dien ligand furnishing an N(5) set, such that two of the pyrrole N atoms and two of the dien N atoms occupy the equatorial positions while one of the imine N atoms of the (pyrrole)(2)dien ligand occupies the axial position. The 4-methyl-pyridine ligand occupies an axial position trans to one of the imine N atoms of the penta-dentate ligand. In the observed conformation of the penta-dentate ligand, the pyrrole rings attain asymmetrical positions owing to the structural demands. The geometry of the resulting CoN(6) coordination can be described as distorted octa-hedral.

| S-EPMC2983608 | biostudies-literature

{1,1'-[(2,2-Dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]di-2-naphthol-ato}dioxidomolybdenum(VI) dichloro-methane 1.75-solvate.

Project description:In the crystal structure of the title compound, [Mo(C(27)H(24)N(2)O(2))O(2)]·1.75CH(2)Cl(2), the Mo(VI) ion is coordinated by two oxide O atoms and by two O and two N atoms of the tetra-dentate 1,1'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]di-2-naphtholate Schiff base ligand in a distorted octa-hedral configuration. The compound crystallizes with 1.75 mol-ecules of dichloro-methane per complex mol-ecule. In the crystal, symmetry-related mol-ecules are linked by a number of C-H⋯O inter-actions involving both the Schiff base ligand and the partly disordered dichloro-methane solvent mol-ecules, leading to the formation of a two-dimensional network extending parallel to (101).

| S-EPMC2969995 | 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

Bis{?-2,2'-[(3-aza-pentane-1,5-di-yl)bis-(nitrilo-methyl-idyne)]diphenolato}dicopper(II) dimethyl sulfoxide disolvate.

Project description:The title compound, [Cu(2)(C(18)H(19)N(3)O(2))(2)]·2C(2)H(6)OS or [Cu(2)(SalenN(3)H)(2)]·2DMSO, where SalenN(3)H is the multidentate Schiff base 2,2'-[(3-aza-pentane-1,5-di-yl)bis-(nitrilo-methyl-idyne)]diphenolate dianion and DMSO is dimethyl sulfoxide, is a solvated dinuclear Cu(II) complex. The neutral complex is built from two Cu(SalenN(3)H) units related by an inversion center. All heteroatoms in the Schiff bases coordinate the Cu(II) ions, which display highly distorted trigonal bipyramidal geometries. The solvent mol-ecules are located in the structural voids of the complex and are disordered over two positions with occupancies of 0.642?(15) and 0.358?(15). The previously characterized acetone disolvate of the same complex presents identical mol-ecular and crystal structures, and crystallizes with cell parameters very close to those of the DMSO disolvate reported here.

| S-EPMC2961312 | biostudies-literature

1,1'-[o-Phenyl-enebis(nitrilo-methyl-idyne)]di-2-naphthol ethanol hemisolvate.

Project description:The asymmetric unit of the title compound, C(28)H(20)N(2)O(2)·0.5C(2)H(5)OH, contains two independent mol-ecules of 1,1'-[o-phenyl-enebis(nitrilo-methyl-idyne)]di-2-naphthol, denoted A and B, and one ethanol solvent mol-ecule. The hydr-oxy groups are involved in intra-molecular O-H?N hydrogen bonds influencing the mol-ecular conformations, which are slightly different in mol-ecules A and B, where the two bicyclic systems form dihedral angles of 51.93?(9) and 58.52?(9)°, respectively. In the crystal structure, a number of short inter-molecular C?C contacts with distances of less than 3.5?Å suggest the existence of ?-? inter-actions, which contribute to the stability of the crystal packing.

| S-EPMC2962146 | 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