Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-[1-(3-Amino-4-chloro-phenyl-imino)eth-yl]-4-bromo-phenol.

ABSTRACT: The title Schiff base compound, C(14)H(12)BrClN(2)O, exists in an E configuration with respect to the central C=N double bond. The amino group adopts a pyramidal configuration. The dihedral angle between the two benzene rings is 76.88 (10)° and an intra-molecular O-H⋯N hydrogen bond forms a six-membered ring, generating an S(6) ring motif. In the crystal structure, mol-ecules are linked into chains along [010] via N-H⋯O hydrogen bonds. The presence of π-π inter-actions [centroid-centroid distance = 3.6244 (12) Å] further stabilizes the crystal structure.

SUBMITTER: Bahron H

PROVIDER: S-EPMC2983940 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-[1-(3-Amino-phenyl-imino)-eth-yl]phenol.

Project description:The title compound, C(14)H(14)N(2)O, exists as the enol-imine tautomer. A strong intra-molecular hydrogen bond between O and N atoms forms a six-membered ring with an S(6) graph-set motif, which is approximately coplanar with the phenol ring, the inter-planar angle being 3.4?(3)°. In the crystal, inter-molecular C-H?O hydrogen bonds and N-H?? inter-actions link the mol-ecules into infinite chains along [100].

| S-EPMC3120413 | biostudies-literature

2-Bromo-4-chloro-6-[(1-phenyl-ethyl)-imino-meth-yl]phenol.

Project description:The title compound, C(15)H(13)BrClNO, is a Schiff base derived from the condensation of equimolar quanti-ties of 3-bromo-5-chloro-salicylaldehyde and 1-phenyl-ethanamine. The structure displays a trans configuration with respect to the imine C=N double bond. The N atom is also involved in an intra-molecular O-H-N hydrogen bond, which stabilizes the configuration of the compound.

| S-EPMC2959591 | biostudies-literature

4-Bromo-2-[(phenyl-imino)-meth-yl]phenol.

Project description:The title compound, C13H10BrNO, is essentially planar (r.m.s. deviation = 0.026?Å) and the dihedral angle between the planes of the two aryl rings is 1.5?(3)°. An intra-molecular O-H?N hydrogen bond generates an S(6) ring.

| S-EPMC4158544 | 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

2-Bromo-4-chloro-6-{(E)-[4-(diethyl-amino)-phen-yl]imino-meth-yl}phenol.

Project description:In the title compound, C(17)H(18)BrClN(2)O, the dihedral angle between the aromatic rings is 3.0 (1)°. The methyl-ethanamine group assumes an extended conformation. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. The crystal packing is stabilized by C-H⋯π and π-π [centroid-centroid distances = 3.691 (1) and 3.632 (1) Å] inter-actions.

| S-EPMC3008048 | biostudies-literature

2-[(E)-(4-Bromo-phenyl)imino-methyl]-4-chloro-phenol.

Project description:In the title compound, C13H9BrClNO, the dihedral angle between the substituted benzene rings is 44.25 (11)°. There are strong intra-molecular O-H⋯N hydrogen bonds, which generate S(6) rings, and also inter-molecular Cl⋯Cl [3.431 (3) Å] and Br⋯ Br [3.846 (1) Å] contacts. The crystal packing a C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3998382 | biostudies-literature

4-Bromo-2-{(E)-3-[1-(hydroxy-imino)eth-yl]phenyl-imino-meth-yl}phenol.

Project description:In the title compound, C(15)H(13)BrN(2)O(2), he oxime unit adopts an E conformation with respect to the O-H group. A classical intra-molecular O-H?N hydrogen bond results in the formation of a six-membered ring. The crystal structure is stabilized by inter-molecular O-H?N hydrogen bonds between the hydr-oxy groups and the oxime N atoms. In addition, the crystal structure also features short inter-molecular Br?Br short contacts with a distance of 3.8768?(5)?Å.

| S-EPMC2971802 | biostudies-other

4-Chloro-2-((E)-{3-[1-(hydroxy-imino)eth-yl]phen-yl}imino-meth-yl)phenol.

Project description:The title compound, C(15)H(13)ClN(2)O(2), adopts an E conformation with respect to the azomethine C=N bond. The aniline and phenol rings are almost coplanar, making a dihedral angle of 3.33?(2)°. In the crystal, the mol-ecules lie about inversion centers, forming dimers that are connected by inter-molecular O-H?N hydrogen bonds, resulting in six-membered rings with graph-set motif R(2) (2)(6). In addition, there is a strong inter-molecular O-H?N hydrogen-bonding inter-action, resulting in an S(6) ring motif. Weak ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.809?(1)?Å] further stabilize the crystal structure.

| S-EPMC2972112 | biostudies-literature

2-Benzyl-imino-meth-yl-6-bromo-4-chloro-phenol.

Project description:The title mol-ecule, C(14)H(11)BrClNO, adopts a trans configuration with respect to the C=N double bond. The dihedral angle between the two aromatic rings is 70.4 (5)°. An intra-molecular O-H⋯N hydrogen bond is observed between the hydroxyl and imine groups.

| S-EPMC2960476 | biostudies-literature

2-Bromo-4-chloro-6-[(E)-(2-chloro-phen-yl)imino-meth-yl]phenol.

Project description:The title compound, C(13)H(8)BrCl(2)NO, was obtained by reaction of 3-bromo-5-chloro-salicylaldehyde and 2-chloro-benzenamine in methanol. The mol-ecule displays an E configuration with respect to the imine C=N double bond. The dihedral angle between the two benzene rings is 4.57 (11)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond. In the crystal structure, mol-ecules are linked by inter-molecular C-H⋯O hydrogen-bonding inter-actions into zigzag chains running parallel to the b axis. Inter-molecular Br⋯Cl [3.5289 (11) Å] and Cl⋯Cl [3.5042 (12) Å] inter-actions are present.

| S-EPMC2968929 | 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