Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl (E)-2-methoxy-imino-2-(4-nitro-benzo-yl)acetate.

ABSTRACT: The title mol-ecule, C(12)H(12)N(2)O(6), features an E conformation about the oxime group. The methoxy-imino and ester residues are effectively coplanar with each other (r.m.s. deviation for the nine non-H atoms = 0.127 Å) and almost orthogonal [with dihedral angles of 99.44 (13) and -77.85 (13)°, respectively] to the carbonyl and nitro-phenyl groups which lie to either side of this central plane. The crystal structure is consolidated by C-H⋯O contacts.

SUBMITTER: Caracelli I

PROVIDER: S-EPMC2979917 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

Project description: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.

| S-EPMC3274996 | biostudies-literature

Ethyl 2-{3-[(6-chloro-pyridin-3-yl)meth-yl]-2-(nitro-imino)-imidazolidin-1-yl}acetate.

Project description:In the title compound, C(13)H(16)ClN(5)O(4), the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds are present. In addition, there are weak π-π stacking inter-actions between symmetry-related pyridine rings with a centroid-centroid distance of 3.807 (1) Å.

| S-EPMC3343957 | biostudies-literature

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

(E)-2-[(2-Ethyl-phen-yl)imino-meth-yl]-6-methoxy-phenol.

Project description:The mol-ecule of the title compound, C(16)H(17)NO(2), adopts the phenol-imine tautomeric form with a strong intra-molecular O-H?N hydrogen bond and an E conformation with respect to the azomethine C=N bond. The dihedral angle between the aromatic rings is 21.23?(9)°. The ethyl group is disordered over two orientations with occupancies of 0.598?(6) and 0.402?(6). In the crystal, the mol-ecules are linked into chains along the b axis by C-H?? inter-actions.

| S-EPMC2979675 | biostudies-literature

2-(1H-Benzotriazol-1-yl)-1-(3-methoxy-benzo-yl)ethyl isonicotinate.

Project description:In the title compound, C(22)H(18)N(4)O(4), mol-ecules are linked to each other by C-H?N and C-H?O inter-molecular hydrogen-bonding inter-actions. The crystal packing is further stabilized by C-H??, and ?-? inter-actions with a distance of 3.783?(3)?Å between the centroids of the benzene rings of the benzotriazole system.

| S-EPMC2968212 | 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

Ethyl 2-[3-(4-nitro-benzo-yl)thio-ureido]benzoate.

Project description:In the title compound, C(17)H(15)N(3)O(5)S, the nitro and thio-ureido groups are twisted by 7.2?(7) and 21.4?(2)°, respectively, from the nitro-benzene ring plane whereas the thio-ureido and the ethyl ester group make dihedral angles of 43.0?(1) and 18.0?(2)°, respectively, with the benzene rings to which they are attached. Intra-molecular N-H?O hydrogen-bonding inter-actions are observed. In the crystal, inter-molecular N-H?O hydrogen bonds connect the mol-ecules into chains running along the a axis.

| S-EPMC2984025 | biostudies-literature

{2-[2-(Ethyl-amino)ethyl-imino-meth-yl]-5-methoxy-phenolato}thio-cyanato-nickel(II).

Project description:In the title mononuclear nickel(II) complex, [Ni(C(12)H(17)N(2)O(2))(NCS)], the metal atom is four-coordinated in a tetra-hedrally distorted square-planar geometry by the phenolate O atom, the imine N atom and the amine N atom of the Schiff base ligand and by the N atom of a thio-cyanate ligand. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers through inter-molecular N-H⋯O hydrogen bonds. These dimers are further connected by inter-molecular C-H⋯S hydrogen bonds, forming chains running parallel to [101].

| S-EPMC2979965 | biostudies-literature

Ethyl 2-(3-ethyl-sulfinyl-5-methyl-1-benzo-furan-2-yl)acetate.

Project description:The title compound, C(15)H(18)O(4)S, was prepared by the oxidation of ethyl 2-(3-ethyl-sulfanyl-5-methyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The crystal structure is stabilized by aromatic π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.655 (3) Å] and by three inter-molecular C-H⋯O non-classical hydrogen bonds.

| S-EPMC2968996 | biostudies-literature

(Z)-Ethyl 2-hydroxy-imino-2-(4-nitro-benz-yl)ethanoate.

Project description:The title mol-ecule, C(11)H(10)N(2)O(6), has a Z conformation about the C=N bond of the oxime unit. There are significant twists from planarity throughout the mol-ecule, the most significant being between the hydroxy-imino and ester groups which are effectively orthogonal with an N-C-C-O(carbon-yl) torsion angle of 91.4?(2)°. The crystal packing features oxime-benzoyl O-H?O contacts that lead to chains along [010] and C-H?O interactions also occur.

| S-EPMC2980268 | 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