Browse
Submit Data
Databases
API
Help

Dataset Information

35 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[(4-Chloro-anilino)meth-yl]phenol.

ABSTRACT: In the title compound, C(13)H(12)ClNO, the dihedral angle between the two benzene ring planes is 68.71?(8)°. In the crystal, mol-ecules are linked by pairs of O-H?N hydrogen bonds into inversion dimers, which are further linked by intermolecular N-H?O interactions into a chain running parallel to the a axis.

SUBMITTER: Chen LZ

PROVIDER: S-EPMC3213566 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-[(4-Chloro-anilino)meth-yl]phenol.

Chen Li-Zhuang LZ

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

In the title compound, C(13)H(12)ClNO, the dihedral angle between the two benzene ring planes is 68.71 (8)°. In the crystal, mol-ecules are linked by pairs of O-H⋯N hydrogen bonds into inversion dimers, which are further linked by intermolecular N-H⋯O interactions into a chain running parallel to the a axis. ...[more]

PMID: 22091143

Similar Datasets

2-[(4-Meth-oxy-anilino)meth-yl]phenol.

Project description:In the title compound, C(14)H(15)NO(2), the dihedral angle between the two benzene rings is 71.10 (5)°. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O, and O-H⋯N hydrogen bonds into a chain running parallel to the b axis.

| S-EPMC3200731 | biostudies-literature

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

Project description:In the title Schiff base compound, C(13)H(9)Cl(2)NO, the dihedral angle between the mean planes of the benzene rings is 10.20?(10)°. The crystal structure is stabilized by O-H?N hydrogen bonds and weak ?-? stacking inter-actions [centroid-centroid distance = 3.757?(1)?Å].

| S-EPMC3295463 | biostudies-literature

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

Project description:The title compound, C(13)H(9)Cl(2)NO, was crystallized from a methanol solution of 5-chloro-salicylaldehyde and o-chloro-aniline. The mol-ecule displays 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. The two aromatic rings are essentially coplanar, the dihedral angle between them being 7.1?(1)°. A C-H?? inter-action is present in the crystal.

| S-EPMC2968492 | biostudies-literature

2-[(4-Chloro-phenyl)-amino-meth-yl]phenol.

Project description:In the title mol-ecule, C(13)H(12)ClNO, the two benzene rings are twisted from each other by a dihedral angle of 68.60 (8)°. In the crystal structure, the hy-droxy and amino H atoms are involved in inter-molecular hydrogen bonds, O-H⋯N and N-H⋯O, respectively, resulting in R(4) (4)(8) loops about inversion centers.

| S-EPMC3200954 | biostudies-literature

2-[(2-Chloro-phen-yl)(hy-droxy)meth-yl]phenol.

Project description:In the title compound, C13H11ClO2, the dihedral angle between the mean planes of the 2-chloro-phenyl and phenol rings is 87.4?(9)°. The methyl hy-droxy group lies nearly perpendicular to the plane of its attached benzene ring [O-C-C-C torsion angle = 84.3?(3)°]. The two hy-droxy groups lie on the same side of the mol-ecule and are in a slightly twisted gauche conformation [O-C-C-O torsion angle = 77.1?(8)°] to each other. In the crystal, O-H?O hydrogen bonds between nearby methyl-hydroxy groups form dimers in alternating pairs aligned diagonally along the b axis. A view along the c axis reveals a hexa-meric aggregate mediated by a ring of six O-H?O hydrogen bonds generating an R 6 (6)(12) motif loop.

| S-EPMC3793743 | biostudies-literature

2-[(5-Chloro-pyridin-2-yl-imino)-meth-yl]phenol.

Project description:In the title compound, C12H9ClN2O, the dihedral angle between the aromatic rings is 1.78 (4)° and an intra-molecular O-H⋯N hydrogen bond closes an S(6) ring. In the crystal, C-H⋯O and C-H⋯N hydrogen bonds connect the mol-ecules into [001] chains.

| S-EPMC9462149 | biostudies-literature

2,6-Di-tert-butyl-4-[(N-methyl-anilino)meth-yl]phenol.

Project description:The title compound, C(22)H(31)NO, has been synthesized from 4-bromo-methyl-2,6-di-tert-butyl-phenol and N-methyl-aniline. There are two independent mol-ecules in the asymmetric unit. The aniline ring in each of the independent mol-ecules was found to be disordered, with site occupation factors 0.621 (10)/0.379 (10) and 0.605 (10)/0.395 (10).

| S-EPMC2960411 | biostudies-literature

rac-3-[(3-Chloro-anilino)(4-chloro-phenyl)meth-yl]thian-4-one.

Project description:In the title compound, C(18)H(17)Cl(2)NOS, the thio-pyran-one ring adopts a chair conformation, with the substituent in the axial position. The dihedral angle between the two benzene rings is 89.43?(1)°. In the crystal, mol-ecules form inversion dimers through inter-molecular N-H?O hydrogen bonds [graph set R(2) (2)(8)].

| S-EPMC3295438 | 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-[(Adamantan-1-yl)amino-meth-yl]-4-chloro-phenol hemihydrate.

Project description:In the title compound, C17H22ClNO·0.5H2O, the water mol-ecule O atom resides on a twofold rotation axis. In the organic mol-ecule, the phenol group forms an intra-molecular O-H?N hydrogen bond. In the crystal, pairs of organic mol-ecules are hydrogen bonded through bridging solvent water mol-ecules, forming chains along the b-axis direction.

| S-EPMC3588840 | 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