Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-[(2,4-Dichloro-phen-yl)imino-methyl]-6-methyl-phenol.

ABSTRACT: The title compound, C(14)H(11)Cl(2)NO, is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. There are two mol-ecules in the asymmetric unit. Head-to-tail π-π inter-actions [centroid-to-centroid distances of 3.682 (2), 3.708 (2), 3.904 (2) and 3.910 (2) Å] between adjacent mol-ecules produce two symmetry-independent infinite chains running along the b axis.

SUBMITTER: Sahin ZS

PROVIDER: S-EPMC2968928 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-[(2,4-Dichloro-phen-yl)imino-methyl]-6-methyl-phenol.

Sahin Zarife Sibel ZS Işık Samil S Erşahin Ferda F Ağar Erbil E

Acta crystallographica. Section E, Structure reports online 20090319 Pt 4

The title compound, C(14)H(11)Cl(2)NO, is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. There are two mol-ecules in the asymmetric unit. Head-to-tail π-π inter-actions [centroid-to-centroid distances of 3.682 (2), 3.708 (2), 3.904 (2) and 3.910 (2) Å] between adjacent mol-ecules produce two symmetry-independent infinite chains running along the b axis. ...[more]

PMID: 21582533

Similar Datasets

2-[(2,4-Dimethyl-phen-yl)imino-meth-yl]-6-methyl-phenol.

Project description:The title compound, C(16)H(17)NO, is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. The mol-ecule is almost planar, with a dihedral angle of 4.61 (4)° between the aromatic rings. The molecular structure is stabilized by an intramolecular O-H⋯N hydrogen bond which generates a six membered ring.

| S-EPMC2969980 | biostudies-literature

3-[(2,4-Dichloro-phen-yl)imino-meth-yl]-2-hydr-oxy-5-methyl-benzaldehyde.

Project description:The title compound, C(15)H(11)Cl(2)NO(2), is a Schiff base which adopts the phenol-imine tautomeric form in the solid state, being stabilized by a strong intra-molecular O-H?N hydrogen bond. The mol-ecule is almost planar (r.m.s. deviation for all non-H atoms = 0.049?Å), displaying a dihedral angle of 3.1?(3)° between the planes of the two aromatic rings.

| S-EPMC2969673 | biostudies-literature

2,4-Di-bromo-6-{[(5-chloro-2-methyl-phen-yl)imino]-meth-yl}phenol.

Project description:In the mol-ecular structure of the title Schiff base, C14H10Br2ClNO, the chloro-phenyl ring and di-bromo-phenol ring are almost coplanar; the dihedral angle between the planes of the two rings is 10.50 (18)°. There is an intra-molecular O-H⋯N hydrogen bond, with an O⋯N distance of 2.576 (4)Å. The crystal structure is stabilized by π-π stacking of neighbouring aromatic rings along the b-axis direction [centroid-centroid distance = 3.6896 (5) Å].

| S-EPMC3770443 | biostudies-literature

2-[(E)-(2,4-Dimethyl-phen-yl)imino-meth-yl]phenol.

Project description:The asymmetric unit of the title compound, C(15)H(15)NO, contains two independent mol-ecules, both of which exist in trans configurations with respect to the C=N bonds [1.278?(2) and 1.279?(2)?Å]. In each mol-ecule, intra-molecular O-H?N hydrogen bonds generate S(6) ring motifs. In one mol-ecule, the benzene rings form a dihedral angle of 13.38?(9)°, while in the other mol-ecule the dihedral angle is 30.60?(10)°. In the crystal, the two independent mol-ecules are linked via weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3212320 | biostudies-literature

2-[(2,4-Dimethyl-phen-yl)imino-meth-yl]-3,5-dimethoxy-phenol.

Project description:X-ray analysis reveals that the title Schiff base compound, C(17)H(19)NO(3), possesses both OH and NH tautomeric character in its mol-ecular structure. The occupancies of the enol and keto tautomers are 0.62?(3) and 0.38?(3), respectively. The presence of the minor keto form could not be confirmed from the IR spectrum. The mol-ecule is approximately planar, the dihedral angle between the planes of the two aromatic rings being 6.97?(8)°. The mol-ecular structure of the major component is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring motif (N-H?O hydrogen bond in the minor component).

| S-EPMC2969358 | biostudies-literature

(E)-2,4-Dichloro-6-{1-[(2-chloro-eth-yl)imino]-eth-yl}phenol.

Project description:The title Schiff base compound, C(10)H(10)Cl(3)NO, was prepared by the condensation of 1-(3,5-dichloro-2-hy-droxy-phen-yl)ethanone with chloro-ethyl-amine. The imine adopts an E configuration with respect to the C=N bond. The H atom of the phenolic OH group is disordered over two positions with site occupation factors of 0.52?(7) and 0.48?(7), respectively, and the major occupancy component is involved in an intramolecular N-H?O hydrogen bond. The compound therefore exists in an iminium-phenolate as well as in the imino-phenol form. In the crystal, mol-ecules are connected by C-H?O and C-H?Cl hydrogen bonds and Cl?Cl inter-actions [3.7864?(9)?Å] into a three-dimensional network. In addition, inter-molecular ?-? stacking inter-actions [centroid-centroid distance = 4.4312?(9)?Å] are observed.

| S-EPMC3011393 | biostudies-literature

4-[(E)-(4-Methyl-phen-yl)imino-meth-yl]phenol.

Project description:In the title compound, C(14)H(13)NO, the two rings show significant deviation from coplanarity, with a dihedral angle between the two planes of 49.40 (5)°. The hy-droxy group is involved in an inter-molecular O-H⋯N hydrogen bond, forming an extended one-dimensional zigzag chain along (001).

| S-EPMC3297943 | biostudies-literature

(E)-2-[(2,4-Dichloro-phen-yl)imino-meth-yl]benzene-1,4-diol monohydrate.

Project description:The title compound, C(13)H(9)Cl(2)NO(2)·H(2)O, represents a Schiff base which adopts the phenol-imine tautomeric form in the solid state. The mol-ecule is approximately planar (r.m.s. deviation 0.0818?Å), and the dihedral angle between the two aromatic rings is 7.46?(12)°. An O-H?N inter-action generates an S(6) ring. In the crystal, mol-ecules are linked by inter-molecular O-H?O hydrogen bonds involving the solvent water mol-ecule, forming chains.

| S-EPMC2972111 | 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

2,4-Dichloro-N-(3-methyl-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(13)H(11)Cl(2)NO(2)S, the conformations of the N-C bonds in the C-SO(2)-NH-C segments have gauche torsions with respect to the S=O bonds. The dihedral angle between the two benzene rings is 68.6?(1)°. The crystal structure features inversion dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3006789 | 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