Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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?? inter-actions.

SUBMITTER: Gao XL

PROVIDER: S-EPMC3998382 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Gao Xiao-Li XL Feng Si-Si SS Yuan Cai-Xia CX Zhu Miao-Li ML

Acta crystallographica. Section E, Structure reports online 20140205 Pt 3

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. ...[more]

PMID: 24764958

Similar Datasets

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

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

Project description: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.

| S-EPMC2983940 | 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

2-Benzyl-imino-methyl-4-chloro-phenol.

Project description:The title compound, C(14)H(12)ClNO, is a Schiff base derived from the condensation of equimolar quanti-ties of 5-chloro-salicylaldehyde and 1-benzyl-amine. The mol-ecule has a trans configuration with respect to the imine C=N double bond. The N atom is involved in an intra-molecular O-H⋯N hydrogen bond.

| S-EPMC2960935 | biostudies-literature

2-Bromo-4-chloro-6-(4-fluoro-phenyl-imino-meth-yl)phenol.

Project description:The two mol-ecules of the title compound, C(13)H(8)BrClFNO, in the asymmetric unit are inter-connected by ?-? inter-actions between the salicylaldehyde and aniline units, the shortest inter-planar distance being 3.317?(3)?Å. These pairs and their translation equivalents are further linked by C-H?F hydrogen bonds, forming a one-dimensional infinite chain. In addition, there is an intra-molecular O-H?N hydrogen bond connecting the OH group and the imine N atom.

| S-EPMC2961884 | biostudies-other

6-Bromo-4-[(3-chloro-4-methyl-phenyl)-imino-meth-yl]-2-meth-oxy-3-nitro-phenol.

Project description:In the title compound, C(15)H(12)BrClN(2)O(4), the configuration of the C=N double bond can be described as trans. The two aromatic rings in this Schiff base are nearly coplanar with a dihedral angle between their mean planes of 15.4?(2)°. In the crystal, molecules are linked via O-H?N and C-H?O interactions.

| S-EPMC3393292 | biostudies-other

2-Bromo-4-chloro-6-(cyclo-pentyl-imino-meth-yl)phenol.

Project description:All atoms of the title mol-ecule, C(12)H(13)BrClNO, except the C and H atoms of the cyclo-pentane methyl-ene groups lie on a crystallographic mirror plane. The cyclo-pentane ring adopts an envelope conformation and an intra-molecular O-H?N hydrogen bond is observed. In the crystal, mol-ecules are stacked along the b axis by ?-? inter-actions [centroid-centroid distance = 3.6424?(11)?Å].

| S-EPMC2971220 | 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

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

Project description:The title compound, C(14)H(11)BrClNO, is a Schiff base compound derived from the condensation of 3-bromo-5-chloro-salicyl-aldehyde and o-toluidine in methanol. The aromatic rings make a dihedral angle of 38.3?(1)°. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond, generating an S(6) ring.

| S-EPMC2983373 | biostudies-literature

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

Project description:The mol-ecule of the title compound, C(14)H(11)BrClNO, displays an E configuration with respect to the imine C=N double bond. The two aromatic rings are essentially coplanar, forming a dihedral angle of 7.9?(2)°. An intra-molecular O-H?N hydrogen bond stabilizes the crystal structure.

| S-EPMC2968479 | 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