Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-[(E)-(3-Chloro-4-methyl-phen-yl)imino-meth-yl]-2-methoxy-3-nitro-phenyl acetate.

ABSTRACT: The title compound, C(17)H(15)ClN(2)O(5), displays a trans-configuration with respect to the C=N double bond. The mol-ecule is twisted, the dihedral angle between the mean planes of the two benzene rings being 18.70 (12)°. The nitro, meth-oxy and acetyl groups are oriented at 80.70 (11), 35.2 (2) and 72.35 (10)°, respectively, to the benzene ring to which they are bonded. The crystal structure is stabilized by weak C-H⋯O hydrogen-bonding contacts.

SUBMITTER: Su DC

PROVIDER: S-EPMC3274996 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-[(4-Methoxy-phen-yl)imino-meth-yl]-4-nitro-phenol.

Project description:The title Schiff base compound, C(14)H(12)N(2)O(4), is in an inter-mediate state between NH and OH tautomers. Apart from the intra-molecular O-H⋯N hydrogen bond, there are inter-molecular C-H⋯O hydrogen bonds, generating centrosymmetric R(2) (2)(18) and R(2) (2)(14) dimers.

| S-EPMC2968952 | biostudies-literature

7-Meth-oxy-1-{[(Z)-2-nitro-phenyl-imino](phen-yl)meth-yl}-2-naphthol chloro-form monosolvate.

Project description:In the title compound, C(24)H(18)N(2)O(4)·CHCl(3), the phenyl and benzene rings make a dihedral angle of 38.60?(9)° and connect in an orientation almost perpendicular to the naphthalene ring system at dihedral angles of 78.73?(8) and 81.20?(7)°. The mol-ecule has a Z configuration about the C=N bond. In the crystal, mol-ecules are linked by inter-molecular O-H?N=C hydrogen bonds between the imino moiety and hy-droxy groups. Inter-molecular C-Cl?C inter-actions between Cl atoms of the CHCl(3) mol-ecule and C atoms of the naphthalene rings are also present [Cl?C = 3.353?(2) and 3.326?(19)?Å]. The nitro group and the chloro-form solvent mol-ecule are disordered over two positions with site occupancies of 0.884?(4) and 0.116?(4).

| S-EPMC3011643 | biostudies-literature

2-{[3-Chloro-4-(4-chloro-phen-oxy)phen-yl]imino-meth-yl}-4-nitro-phenol.

Project description:In the title compound, C19H12Cl2N2O4, the imine bond length of 1.257 (6) Å is typical of a double bond. The dihedral angle between the para-nitro benzene ring and the central benzene ring is 12.06 (3)° and that between the central benzene and the para-chloro benzene ring is 73.81 (2)°. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked together by two pairs of C-H⋯O interactions (to the same O atom acceptor), forming inversion dimers. A short Cl⋯Cl contact [3.232 (4) Å] is observed.

| S-EPMC3685046 | biostudies-literature

Methyl (R)-2-(2-chloro-phen-yl)-2-(3-nitro-phenyl-sulfon-yloxy)acetate.

Project description:The reaction between methyl (R)-2-(2-chloro-phen-yl)-2-hy-droxy-acetate and 3-nitro-benzene-sulfonyl chloride gave the title compound, C(15)H(12)ClNO(7)S, which is a promising inter-mediate for the synthesis of Clopidrogel, an anti-platelet drug used in the prevention of strokes and heart attacks. In the crystal, mol-ecules are linked through C-H?O interactions, and there is also a short Cl?O contact present [Cl?O = 3.018?(2)?Å].

| S-EPMC3379285 | biostudies-literature

4-[(3-Chloro-2-methyl-phen-yl)imino-meth-yl]phenol.

Project description:In the title compound, C(14)H(12)ClNO, the dihedral angle between the aromatic rings is 39.84?(7)°. In th crystal, mol-ecules are connected by O-H?N hydrogen bonds into chains parallel to [001]. In addition, a C-H?? contact occurs.

| S-EPMC3515282 | biostudies-literature

2-{(E)-[(2-Methyl-3-nitro-phen-yl)imino]-meth-yl}-4-nitro-phenol.

Project description:The title compound, C14H11N3O5, is a Schiff base that adopts the enol-imine tautomeric form in the solid state. The dihedral angle between the aromatic rings is 37.4?(3)° and the dihedral angles between the nitro groups and their attached rings are 4.0?(6) and 46.2?(8)°. The mol-ecular structure is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked by C-H?O interactions, forming a two-dimensional network parallel to the bc plane.

| S-EPMC3770363 | biostudies-literature

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

Project description:In the title Schiff base, C(16)H(16)ClNO(2), the 2-(4-methoxy-phen-yl)ethyl (CH(3)OC(6)H(4)CH(2)CH(2)-; r.m.s. deviation = 0.10 Å) and 4-chloro-2-(imino-meth-yl)phenol (N=CHC(6)H(3)ClOH; r.m.s. deviation = 0.01 Å) portions are both essentially planar, the two parts being inclined at an angle of 61.8 (1)°. The hydroxy group forms a hydrogen bond to the imino N atom.

| S-EPMC2977750 | biostudies-literature

2-[(E)-(2-Chloro-phen-yl)imino-meth-yl]-6-methyl-phenol.

Project description:The title compound, C(14)H(12)ClNO, a Schiff base derived from 3-methyl-salicyl-aldehyde, crystallizes in the phenol-imine tautomeric form with an E conformation for the imine functionality. The mol-ecule is not planar, the dihedral angle between the aromatic rings being 36.38 (5)°. The hy-droxy H atom is involved in a strong intra-molecular O-H⋯N hydrogen bond, generating an S(6) ring.

| S-EPMC3008053 | biostudies-literature

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

Project description:The mol-ecule of the title compound, C(14)H(12)ClNO, adopts the enol-imine tautomeric form, with an intra-molecular O-H⋯N hydrogen bond. In the mol-ecule, the two benzene rings are twisted with respect to each other by 30.6 (2)°. The crystal structure is stabilized by inter-molecular C-H⋯π inter-actions.

| S-EPMC2960362 | biostudies-literature

2-{(E)-[(4-Methyl-phen-yl)imino]-meth-yl}-4-nitro-phenol-2-{(E)-[(4-methyl-phen-yl)iminio]meth-yl}-4-nitro-phenolate (0.60/0.40).

Project description:The crystal of the title compound, 0.6C(14)H(12)N(2)O(3)·0.4C(14)H(12)N(2)O(3), contains a mixture of its neutral (OH containing) and zwitterionic (NH containing) forms, in a 0.60 (4):0.40 (4) ratio. The former generates an S(6) loop via an intra-molecular O-H⋯N hydrogen bond and the latter generates an S(6) loop via an N-H⋯O hydro-gren bond. The aromatic rings are oriented at a dihedral angle of 42.52 (10)°. In the crystal, C-H⋯π inter-actions occur and aromatic π-π stacking inter-actions [centroid-centroid separations = 3.7106 (12) and 3.9177 (13) Å] consolidate the packing.

| S-EPMC3200654 | 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