Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(4-{[(E)-5-Chloro-2-hy-droxy-benzyl-idene]amino}-phen-yl)ethanone oxime.

ABSTRACT: The title compound, C(15)H(13)ClN(2)O(2), is an aromatic Schiff base having an aldoxime substituent; the two rings on the azomethine linkage are twisted by 44.4?(1)°. The phenolic H atom is intra-molecularly hydrogen bonded to the azomethine N atom, generating an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H?N hydrogen bonds occur. The crystal studied was a non-merohedral twin with a 35% minor component.

SUBMITTER: Zhao L

PROVIDER: S-EPMC2983254 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(4-{[(E)-5-Chloro-2-hy-droxy-benzyl-idene]amino}-phen-yl)ethanone oxime.

Zhao Li L Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

The title compound, C(15)H(13)ClN(2)O(2), is an aromatic Schiff base having an aldoxime substituent; the two rings on the azomethine linkage are twisted by 44.4 (1)°. The phenolic H atom is intra-molecularly hydrogen bonded to the azomethine N atom, generating an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H⋯N hydrogen bonds occur. The crystal studied was a non-merohedral twin with a 35% minor component. ...[more]

PMID: 21587475

Similar Datasets

1-(4-{[(E)-3-Eth-oxy-2-hy-droxy-benzyl-idene]amino}-phen-yl)ethanone oxime.

Project description:In the title compound, C(17)H(18)N(2)O(3), the benzene rings form a dihedral angle of 3.34?(2)°. There is a strong intra-molecular O-H?N hydrogen bonds (which induces planarity of the structure). In the crystal, mol-ecules are linked by pairs of O-H?N hydrogen bonds, forming inversion dimers.

| S-EPMC3275186 | biostudies-literature

{5-Chloro-2-[(2-hy-droxy-benzyl-idene)amino]-phen-yl}(phen-yl)methanone.

Project description:The title Schiff base compound, C(20)H(14)ClNO(2), adopts an E configuration about the azomethine bond. The phenol and chloro-benzene rings form dihedral angles of 84.71?(9) and 80.70?(8)°, respectively, with the phenyl ring and are twisted by 15.32?(8)° with respect to one another. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming columns parallel to the a axis.

| S-EPMC3239075 | biostudies-literature

1-(4-{[(E)-4-Methyl-benzyl-idene]amino}-phen-yl)ethanone oxime.

Project description:In the title compound, C(16)H(16)N(2)O, the dihedral angle formed by the two benzene rings is 50.3 (1)°. In the crystal structure, mol-ecules are linked into an infinite one-dimensional supra-molecular structure by inter-molecular O-H⋯N hydrogen-bond inter-actions.

| S-EPMC2983312 | biostudies-literature

2-Chloro-1-(4-hy-droxy-phen-yl)ethanone.

Project description:The asymmetric unit of the title compound, C(8)H(7)ClO(2), consists of two independent mol-ecules, with comparable geometries. Both mol-ecules are approximately planar (r.m.s. deviations = 0.040 and 0.064?Å for the 11 non-H atoms). In the crystal, mol-ecules are linked via inter-molecular O-H?O and C-H?O hydrogen bonds into chains two mol-ecules thick along (-101).

| S-EPMC3414342 | biostudies-literature

Crystal structures of (<i>E</i>)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (<i>E</i>)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.

Project description:In the mol-ecules of both (E)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone, C15H12FNO2, (I), and (E)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone, C16H15NO3, (II), which crystallizes with Z' = 2 in space group Pca21, there are intra-molecular O-H?N hydrogen bonds, and the non-H atoms in each mol-ecule are essentially coplanar. In the crystal of (I), mol-ecules are linked by a single C-H?O hydrogen bond to form a C(8) chain, whereas in the crystal of (II), mol-ecules are linked by three C-H?O hydrogen bonds to form sheets within which orthogonal C22(16) and C22(17) chains can be identified. Comparisons are made with some related structures.

| S-EPMC5730235 | biostudies-literature

1-[4-({4-[(E)-(2-Hy-droxy-naphthalen-1-yl)methyl-idene-amino]-phen-yl}sulfan-yl)phen-yl]ethanone.

Project description:The title Schiff base compound, C25H19NO2S, crystallizes in a statistically disordered structure comprising keto and enol tautomeric forms. In the enol form, the benzenoid arrangment is promoted by a strong intra-molecular O-H?N hydrogen bond and adopts an E conformation about the imine bond. In the keto form there is an intramolecular N-H?O hydrogen bond. In the crystal, an extended network of C-H?O hydrogen bonds stabilizes columns parallel to the c axis, forming large voids (there are four cavities of 108?Å(3) per unit cell) with highly disordered residual electron density. The SQUEEZE procedure in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155] was used to eliminate the contribution of this electron density from the intensity data, and the solvent-free model was employed for the final refinement. The contribution of this undetermined solvent was ignored in the calculation of the unit-cell characteristics.

| S-EPMC3588383 | biostudies-literature

{5-Chloro-2-[(4-chloro-benzyl-idene)-amino]-phen-yl}(phen-yl)methanone.

Project description:In the title compound, C(20)H(13)Cl(2)NO, the C=N bond adopts an E conformation. The chloro-substituted rings form a dihedral angle of 11.99?(9)° with each other and form dihedral angles of 74.95?(9) and 83.26?(10)° with the unsubstituted ring. In the crystal, mol-ecules are connected into dimers by pairs of weak C-H?O hydrogen bonds and the dimers are arranged in columns parallel to the a axis.

| S-EPMC3295436 | biostudies-literature

1-(3-Benzyl-4,6-dibenz-yloxy-2-hy-droxy-phen-yl)ethanone.

Project description:The title compound, C(29)H(26)O(4), is essentially planar in the acetophenone portion that includes both the hy-droxy and a benz-yloxy O atoms, with an r.m.s. deviation of 0.0311?Å. The other two substituents inter-sect the plane at 70.45?(3) and 59.55?(4)°. In the molecule there is an intramolecular O-H?O hydrogen bond. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, as well as C-H?? and ?-stacking inter-actions, with centroid-centroid distances 3.6570?(2)?Å.

| S-EPMC3470220 | biostudies-literature

1-[4-(4-Chloro-but-oxy)-2-hy-droxy-phen-yl]ethanone.

Project description:In the title compound, C(12)H(15)ClO(3), the eth-oxy group is nearly coplanar with the benzene ring, making a dihedral angle of 9.03 (4)°, and is involved in an intra-molecular O-H⋯O hydrogen bond to the neighbouring hy-droxy group.

| S-EPMC3051656 | biostudies-literature

1-[4-(2-Chloro-eth-oxy)-2-hy-droxy-phen-yl]ethanone.

Project description:In the title compound, C(10)H(11)ClO(3), obtained by the reaction of 2,4-dihy-droxy-acetophenone, potassium carbonate and 1-bromo-2-chloro-ethane, an intra-molecular O-H⋯O hydrogen bond occurs.

| S-EPMC3051432 | 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