Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-((E)-{3-[(E)-2-Hy-droxy-3,5-diiodo-benzyl-idene-amino]-2,2-dimethyl-prop-yl}imino-meth-yl)-4,6-diiodo-phenol.

ABSTRACT: The asymmetric unit of the title compound, C(19)H(18)I(4)N(2)O(2), comprises a potentially tetra-dentate Schiff base ligand. The disordered H atoms on the N and O atoms were refined with site occupancies of 0.54?(8)/0.46?(8) and 0.59?(7)/0.41?(7), respectively. The dihedral angle between the benzene rings is 73.3?(3)°. Intra-molecular O-H?N and N-H?O hydrogen bonds make S(6) ring motifs. Short I?I [3.8919?(7)?Å] and I?Cg [Cg is a ring centroid; 3.911?(2)?Å] contacts are present in the crystal structure. The crystal structure is further stabilized by inter-molecular ?-? inter-actions [centroid-to-centroid distance = 3.827?(3)?Å].

SUBMITTER: Kargar H

PROVIDER: S-EPMC3297293 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-((E)-{3-[(E)-2-Hy-droxy-3,5-diiodo-benzyl-idene-amino]-2,2-dimethyl-prop-yl}imino-meth-yl)-4,6-diiodo-phenol.

Kargar Hadi H Kia Reza R Shakarami Tayebeh T Tahir Muhammad Nawaz MN

Acta crystallographica. Section E, Structure reports online 20120204 Pt 3

The asymmetric unit of the title compound, C(19)H(18)I(4)N(2)O(2), comprises a potentially tetra-dentate Schiff base ligand. The disordered H atoms on the N and O atoms were refined with site occupancies of 0.54 (8)/0.46 (8) and 0.59 (7)/0.41 (7), respectively. The dihedral angle between the benzene rings is 73.3 (3)°. Intra-molecular O-H⋯N and N-H⋯O hydrogen bonds make S(6) ring motifs. Short I⋯I [3.8919 (7) Å] and I⋯Cg [Cg is a ring centroid; 3.911 (2) Å] contacts are present in the crystal st ...[more]

PMID: 22412483

Similar Datasets

2-[(Z)-(3-{[(Z)-2-Hy-droxy-3,5-diiodo-benzyl-idene]amino}-propyl-imino)-meth-yl]-4,6-diiodo-phenol.

Project description:In the title compound, C(17)H(14)I(4)N(2)O(2), there are two intra-molecular O-H⋯N hydrogen bonds, which make S(6) ring motifs. In the crystal, there are no significant inter-molecular inter-actions present.

| S-EPMC3414953 | biostudies-literature

4,6-Dichloro-2-{[(E)-(3-{[(E)-3,5-dichloro-2-hy-droxy-benzyl-idene]amino}-2,2-dimethyl-prop-yl)imino]-meth-yl}phenol.

Project description:In the title compound, C(19)H(18)Cl(4)N(2)O(2), a potential tetra-dentate Schiff base ligand, the dihedral angle between the two benzene rings is 48.01?(10)°. The configuration about the two C=N bonds is E and two intra-molecular O-H?N hydrogen bonds make S(6) ring motifs. In the crystal, mol-ecules are linked along the b axis via inter-molecular C-H?Cl inter-actions. The crystal structure is further stabilized by an inter-molecular ?-? inter-action [centroid-centroid distance = 3.5744?(12)?Å].

| S-EPMC3254485 | biostudies-other

4,6-Dichloro-2-((E)-{4-[(E)-3,5-dichloro-2-hy-droxy-benzyl-idene-amino]-butyl-imino}-meth-yl)phenol.

Project description:The asymmetric unit of the title compound, C(18)H(16)Cl(4)N(2)O(2), comprises half of a potentially tetra-dentate Schiff base ligand. It is located about a twofold rotation axis that bis-ects the central C-C bond of the butane-1,4-diamine group. There are two intra-molecular O-H⋯N hydrogen bonds making S(6) ring motifs. In the crystal, mol-ecules are linked by pairs of weak C-H⋯Cl inter-actions, forming inversion dimers, which are further connected by C-H⋯O hydrogen bonds into two-dimensional frameworks that lie parallel to (001).

| S-EPMC3394034 | biostudies-literature

4,6-Dibromo-2-[(E)-(4-{[(E)-3,5-dibromo-2-hy-droxy-benzyl-idene]amino}-butyl)-imino-meth-yl]phenol.

Project description:The asymmetric unit of the title compound, C(18)H(16)Br(4)N(2)O(2), comprises half the molecule, which is located adjacent to an inversion centre at the mid-point of the central C-C bond of the butane-1,4-diamine segment. There are two intra-molecular O-H⋯N hydrogen bonds making S(6) ring motifs. In the crystal, mol-ecules are linked by pairs of weak C-H⋯Br inter-actions into chains along [101], which include R(2) (2)(8) ring motifs. These chains are further linked by C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3394053 | biostudies-literature

2-{[(2-Hy-droxy-3,5-dimethyl-benz-yl)(meth-yl)amino]-meth-yl}-4,6-dimethyl-phenol.

Project description:In the title compound, C(19)H(25)NO(2), the dihedral angle between the benzene rings is 53.15?(8)°. One of the -OH groups forms an intra-molecular O-H?N link, generating an S(6) ring. The other -OH group forms an inter-molecular O-H?N hydrogen bond in the crystal, generating centrosymmetric R(2) (2)(20) loops.

| S-EPMC3379400 | biostudies-literature

Bis-{(E)-3-[2-(hy-droxy-imino)-propan-amido]-2,2-dimethyl-propan-1-aminium} bis[?-(E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamido-(2-)]bis-{[(E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide]-copper(II)} bis-((E)-{3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-prop-yl}carbamate) acetonitrile disolvate.

Project description:The reaction between copper(II) nitrate and (E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide led to the formation of the dinuclear centrosymmetric copper(II) title complex, (C8H18N3O2)2[Cu2(C8H15N3O2)2(C8H17N3O2)2](C9H16N3O4)2·2CH3CN, in which an inversion center is located at the midpoint of the Cu2 unit in the center of the neutral [Cu2(C8H15N3O2)2(C8H17N3O2)2] complex fragment. The Cu(2+) ions are connected by two N-O bridging groups [Cu?Cu separation = 4.0608?(5)?Å] while the Cu(II) ions are five-coordinated in a square-pyramidal N4O coordination environment. The complex mol-ecule co-crystallizes with two mol-ecules of acetonitrile, two mol-ecules of the protonated ligand (E)-3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-propan-1-aminium and two negatively charged (E)-{3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-prop-yl}carbamate anions, which were probably formed as a result of condensation between (E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide and hydro-gencarbonate anions. In the crystal, the complex fragment [Cu2(C8H15N3O2)2(C8H17N3O2)2] and the ion pair C8H18N3O2(+.)C9H16N3O4(-) are connected via an extended system of hydrogen bonds.

| S-EPMC3588739 | biostudies-literature

2-((Z)-{3-[(Z)-(2-Hy-droxy-5-methyl-benzyl-idene)amino]-2,2-dimethyl-prop-yl}imino-meth-yl)-4-methyl-phenol.

Project description:In the title compound, C(21)H(26)N(2)O(2), the dihedral angle between the two benzene rings is 73.47?(16)°. Strong intra-molecular O-H?N hydrogen bonds generate S(6) ring motifs. The substituted benzene rings are twisted around the central quaternary C atom in opposite directions, making a vault geometry.

| S-EPMC3050403 | biostudies-literature

2,4-Dichloro-6-({2-[(3,5-dichloro-2-hy-droxy-benzyl-idene)amino]-eth-yl}imino-meth-yl)phenol.

Project description:The title mol-ecule, C(16)H(12)Cl(4)N(2)O(2), lies about an inversion center. The symmetry-unique part of the mol-ecule contains an intra-molecular O-H?N hydrogen bond. In the crystal, mol-ecules are arranged in corrugated layers parallel to (-101). Weak ?-? stacking inter-actions, with a centroid-centroid diatance of 3.7923?(13)?Å, are present.

| S-EPMC3379294 | biostudies-literature

4-Bromo-2-({4-[(hy-droxy-imino)-meth-yl]phen-yl}imino-meth-yl)phenol.

Project description:In the title compound, C(14)H(11)BrN(2)O(2), the mean planes of the two benzene rings are almost parallel to each other, making a dihedral angle of 4.09?(1)°. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules into a chain-like supra-molecular structure.

| S-EPMC3007216 | biostudies-literature

2-((E)-{[4-(Hy-droxy-meth-yl)phen-yl]imino}-meth-yl)phenol.

Project description:The title compound, C(14)H(13)NO(2), adopts the enol-imine tautomeric form, with an intra-molecular O-H?N hydrogen bond which generates an S(6) ring motif. The dihedral angle between the aromatic rings is 7.85?(7)°. The crystal structure is stabilized by O-H?O, O-H?N and C-H?O hydrogen bonds, forming a two-dimensional array that stacks along the a axis. In addition, a C-H?? inter-action contributes to the stabilization of the crystal packing.

| S-EPMC3379224 | 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