Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4'-Dimethoxy-2,2'-[1,1'-(propane-1,3-diyldinitrilo)diethylidyne]diphenol.

ABSTRACT: In the crystal structure, the title Schiff base compound, C(21)H(26)N(2)O(4), has twofold rotation symmetry. The imino group is coplanar with the aromatic ring. An intra-molecular O-H?N hydrogen bond forms a six- membered ring, producing an S(6) ring motif. The two benzene rings are almost perpendicular to each other, making a dihedral angle of 85.00?(2)°. The meth-oxy group is approximately coplanar with the benzene ring, with a C-O-C-C torsion angle of 2.34?(12)°. Neighbouring mol-ecules are linked together by weak inter-molecular C-H?O hydrogen bonds and a C-H?? inter-action, forming a sheet parallel to the ab plane. The mol-ecules also adopt a zigzag arrangement along the c axis.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2960484 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,4'-Dimethoxy-2,2'-[1,1'-(propane-1,3-diyldinitrilo)diethylidyne]diphenol.

Fun Hoong-Kun HK Kia Reza R

Acta crystallographica. Section E, Structure reports online 20080806 Pt 9

In the crystal structure, the title Schiff base compound, C(21)H(26)N(2)O(4), has twofold rotation symmetry. The imino group is coplanar with the aromatic ring. An intra-molecular O-H⋯N hydrogen bond forms a six- membered ring, producing an S(6) ring motif. The two benzene rings are almost perpendicular to each other, making a dihedral angle of 85.00 (2)°. The meth-oxy group is approximately coplanar with the benzene ring, with a C-O-C-C torsion angle of 2.34 (12)°. Neighbouring mol-ecules are l ...[more]

PMID: 21201652

Similar Datasets

4,4',5,5'-Tetra-methyl-2,2'-[1,1'-(propane-1,3-diyldinitrilo)diethyl-idyne]diphenol.

Project description:The title Schiff base compound, C(23)H(30)N(2)O(2), has crystallographic twofold rotation symmetry. An intra-molecular O-H?N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The imino group is coplanar with the benzene ring. The two benzene rings are almost perpendicular to each other, making a dihedral angle of 87.38?(4)°. In the crystal structure, neighbouring mol-ecules are linked along the c axis by weak inter-molecular C-H?O hydrogen bonds and are further packed into columns along the b axis, forming sheets which are parallel to the bc plane.

| S-EPMC2960569 | biostudies-literature

2,2'-[(E,E)-1,1'-(2,2-Dimethyl-propane-1,3-diyldinitrilo)diethyl-idyne]diphenol.

Project description:The title Schiff base, C(21)H(26)N(2)O(2), contains two intra-molecular O-H?N hydrogen bonds between the hydroxyl groups and the nearest imine N atoms, each leading to a six-membered ring. Weak C-H?O hydrogen bonds result in a ladder network running along the a axis. In addition, inter-molecular C-H?? inter-actions serve to stabilize the extended structure.

| S-EPMC2969254 | biostudies-literature

2,2'-[(Propane-1,3-diyldinitrilo)bis-(phenyl-methyl-idyne)]diphenol.

Project description:In the title mol-ecule, C(29)H(26)N(2)O(2), there are two strong intra-molecular O-H⋯N hydrogen bonds involving the hydr-oxy and imine groups, forming S(6) ring motifs. The dihedral angles between adjacent phenyl rings and phenol-containing planes are 85.27 (19) and 91.38 (18)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds connect mol-ecules into a two-dimensional network.

| S-EPMC2983949 | 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

4,4'-Dichloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The crystal of the title Schiff base compound, C(19)H(20)Cl(2)N(2)O(2), contains of two crystallographically independent mol-ecules with similar conformations. In each mol-ecule, two intramolecular O-H⋯N bonds generate S(6) motifs. The N atoms are also in close proximity to two H atoms of the dimethyl-propane groups, with H⋯N distances between 2.59 and 2.62 Å. The imine group is coplanar with the benzene ring. The dihedral angles between the benzene rings in the two independent mol-ecules are 58.20 (12) and 47.95 (12)°. The structure displays short inter-molecular Cl⋯Cl [3.3869 (11) Å] and Cl⋯O [3.175 (2)-3.204 (2) Å] inter-actions. The crystal structure is further stabilized by weak inter-molecular C-H⋯O, C-H⋯π and π-π [centroid-centroid distances 3.6416 (13)-3.8705 (14) Å] inter-actions.

| S-EPMC2967979 | biostudies-literature

4,4'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:In the title compound, C(21)H(26)N(2)O(4), the dihedral angle between the substituted benzene rings is 30.47 (15) °. Two strong intra-molecular O-H⋯N hydrogen bonds generate two S(6) ring motifs.

| S-EPMC3052006 | biostudies-literature

4,4',6,6'-Tetra-chloro-2,2'-[(1E,1'E)-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(17)H(14)Cl(4)N(2)O(2), is generated by crystallographic twofold symmetry. The two benzene rings are inclined to one another by 80.17?(10)°. There are two intra-molecular O-H?N hydrogen bonds, which make S(6) ring motifs. In the crystal, mol-ecules are linked by C-H?O and weak C-H?Cl inter-actions, forming a three-dimensional network.

| S-EPMC3414188 | biostudies-literature

{5,5'-Dimeth-oxy-2,2'-[1,1'-(2,2-dimethyl-propane-1,3-diyldinitrilo)-diethyl-idyne]diphenolato-?O,N,N',O'}copper(II) monohydrate.

Project description:The tetra-dentate dianion in the title complex hydrate, [Cu(C(23)H(28)N(2)O(4))]·H(2)O, provides the Cu(II) atom with a cis-N(2)O(2) donor set. There is a significant twist from a regular square-planar geometry with the dihedral angle formed between the two six-membered CuOC(3)N chelate rings being 32.14?(8)°. The water mol-ecule forms hydrogen bonds to each of the coordinating O atoms of a given complex mol-ecule. Supra-molecular layers in the bc plane are formed in the crystal packing through C-H?O and C-H?? inter-actions.

| S-EPMC3201301 | biostudies-literature

[1,1'-Diphenyl-3,3'-(propane-1,3-diyldinitrilo)dibut-1-enolato]copper(II).

Project description:The title compound, [Cu(C(23)H(24)N(2)O(2))] or [Cu{(BA)(2)pn}], where (BA)(2)pn is 1,1'-diphenyl-3,3'-(propane-1,3-diyldinitrilo)dibut-1-enolate, is a mononuclear copper(II) complex, located on a twofold axis. The four-coordinate Cu(II) atom is in a tetra-hedrally distorted square plane defined by the N and O atoms of the Schiff base ligand. In the tetra-dentate ligand, the two chelate rings are twisted relative to each other, making a dihedral angle of 36.57?(3)°.

| S-EPMC2968291 | biostudies-literature

2,2'-Dimethoxy-4,4'-[rel-(2R,3S)-2,3-di-methylbutane-1,4-diyl]diphenol.

Project description:The title mol-ecule, C(20)H(26)O(4), commonly known as meso-dihydro-guaiaretic acid, is a naturally occurring lignan extracted from Larrea tridentata and other plants. The mol-ecule has a noncrystallographic inversion center situated at the midpoint of the central C-C bond, generating the meso stereoisomer. The central C-C-C-C alkyl chain displays an all-trans conformation, allowing an almost parallel arrangement of the benzene rings, which make a dihedral angle of 5.0?(3)°. Both hydr-oxy groups form weak O-H?O-H chains of hydrogen bonds along [100]. The resulting supra-molecular structure is an undulating plane parallel to (010).

| S-EPMC2969660 | 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