Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Fluoro-N-[(E)-3,4,5-tri-meth-oxy-benzyl-idene]aniline.

ABSTRACT: The title compound, C16H16FNO3, exists in a trans configuration with respect to the C=N bond [1.258?(2)?Å]. The central meth-oxy O atom deviates from the plane of the attached benzene ring by 0.0911?(14)?Å. The dihedral angle between the aromatic rings is 47.58?(11)°. The crystal structure features C-H?N and C-H?O inter-actions.

SUBMITTER: Balachandar RK

PROVIDER: S-EPMC3793738 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Fluoro-N-[(E)-3,4,5-tri-meth-oxy-benzyl-idene]aniline.

Balachandar R K RK Kalainathan S S Eappen Shibu M SM Podder Jiban J

Acta crystallographica. Section E, Structure reports online 20130710 Pt 8

The title compound, C16H16FNO3, exists in a trans configuration with respect to the C=N bond [1.258 (2) Å]. The central meth-oxy O atom deviates from the plane of the attached benzene ring by 0.0911 (14) Å. The dihedral angle between the aromatic rings is 47.58 (11)°. The crystal structure features C-H⋯N and C-H⋯O inter-actions. ...[more]

PMID: 24109325

Similar Datasets

1-(2,4-Di-nitro-phen-yl)-2-[(E)-(3,4,5-tri-meth-oxy-benzyl-idene)]hydrazine.

Project description:Mol-ecules of the title compound, C16H16N4O7, are not planar with a dihedral angle of 5.50 (11)° between the substituted benzene rings. The two meta-meth-oxy groups of the 3,4,5-tri-meth-oxy-benzene moiety lie in the plane of the attached ring [Cmeth-yl-O-C-C torsion angles -0.1 (4)° and -3.7 (3)°] while the para-meth-oxy substituent lies out of the plane [Cmeth-yl-O-C-C, -86.0 (3)°]. An intra-molecular N-H⋯O hydrogen bond involving the 2-nitro substituent generates an S(6) ring motif. In the crystal structure, mol-ecules are linked by weak C-H⋯O inter-actions into screw chains, that are arranged into a sheet parallel to the bc plane. These sheets are connected by π-π stacking inter-actions between the nitro and meth-oxy substituted aromatic rings with a centroid-centroid separation of 3.9420 (13) Å. C-H⋯π contacts further stabilize the two-dimensional network.

| S-EPMC3998339 | biostudies-literature

(E)-4-Meth-oxy-N'-(3,4,5-trimeth-oxy-benzyl-idene)benzohydrazide.

Project description:In the asymmetric unit of the title compound, C(18)H(20)N(2)O(5), there are two crystallographic independent mol-ecules. Both mol-ecules are twisted; the dihedral angle between the two benzene rings is 7.2?(5)° in one mol-ecule, whereas it is 85.9?(4)° in the other. Of the three meth-oxy groups in the 3,4,5-trimeth-oxy-phenyl unit, two meth-oxy groups at meta positions are approximately coplanar with the benzene plane [C-O-C-C torsion angles of -2.3?(13)-4.8?(11)°], but the other meth-oxy, at the para position, is out of the plane [C-O-C-C of 72.8?(9)° in one mol-ecule and -77.5?(9)° in the other]. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds and weak C-H?O inter-actions into tapes along the b axis. C-H?? inter-actions are also present.

| S-EPMC3297292 | biostudies-literature

4-Meth-oxy-N-(2-nitro-benzyl-idene)aniline.

Project description:The title compound, C(14)H(12)N(2)O(3), was prepared by reaction of 2-nitro-benzaldehyde with 4-methoxy-benzenamine at 377?K. The molecule has an E configuration, with a dihedral angle between the two benzene rings of 43.3?(5)°. An intermolecular C-H?O interaction links molecules in zigzag chains down the a axis.

| S-EPMC2959339 | biostudies-literature

(E)-4-Meth-oxy-N'-(2,4,5-tri-meth-oxy-benzyl-idene)benzohydrazide hemihydrate.

Project description:The title compound crystallizes as a hemihydrate, C18H20N2O5·0.5H2O. The mol-ecule exists in an E conformation with respect to the C=N imine bond. The 4-meth-oxy-phenyl unit is disordered over two sets of sites with a refined occupancy ratio of 0.54 (2):0.46 (2). The dihedral angles between the benzene rings are 29.20 (9) and 26.59 (9)°, respectively, for the major and minor components of the 4-meth-oxy-substituted ring. All meth-oxy substituents lie close to the plane of the attached benzene rings [the Cmeth-yl-O-C-C torsion angles range from -4.0 (12) to 3.9 (2)°]. In the crystal, the components are linked into chains propagating along [001] via N-H⋯O and O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions.

| S-EPMC3998312 | biostudies-literature

2-Fluoro-N'-(2-meth-oxy-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title compound, C(15)H(13)FN(2)O(2), exists in a trans configuration with respect to the methyl-idene unit. The two benzene rings form a dihedral angle of of 64.7?(2)°. In the crystal, mol-ecules are linked through N-H?O hydrogen bonds into chains propagating along the c axis.

| S-EPMC3050391 | biostudies-literature

Ethyl (2Z)-3-oxo-2-(3,4,5-tri-meth-oxy-benzyl-idene)butano-ate.

Project description:In the title compound, C16H20O6, the conformation about the C=C double bond [1.344?(2)?Å] is Z. With respect to this bond, the ketone is almost coplanar [C-C-C-O torsion angle = -179.60?(10)°] and the ester is almost perpendicular [C-C-C-O = 78.42?(13)°]. The meth-oxy substituents of the central benzene ring are either almost coplanar [C-C-O-C = 3.54?(15) and 177.70?(9)°] or perpendicular [C-C-O-C = 80.08 12)° for the central substituent]. In the crystal, the three-dimensional architecture features C-H?O and ?-? [inter-centroid distance = 3.6283?(6)?Å] inter-actions.

| S-EPMC3884456 | biostudies-other

(E,E)-N-(2,3,4,5,6-Penta-fluoro-benzyl-idene)-N-(3,4,5-trimeth-oxy-benzyl-idene)benzene-1,4-diamine.

Project description:The title compound, C(23)H(17)F(5)N(2)O(3), forms a layered centrosymmetric crystal structure in which C-H?F inter-actions are responsible for the formation of planar ribbons along [110], meth-oxy-meth-oxy (C-H?O) inter-actions for the formation of layers parallel to [[Formula: see text]13], and OCH(3)?? and C-F?? inter-actions for the stacking of these layers.

| S-EPMC3239037 | biostudies-literature

(E)-2-[(2,4,6-Tri-meth-oxy-benzyl-idene)amino]-phenol.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C16H17NO4, with similar conformations but some differences in their bond angles. Each mol-ecule adopts a trans configuration with respect to the methyl-idene C=N bond and is twisted with a dihedral angle between the two substituted benzene rings of 80.52 (7)° in one mol-ecule and 83.53 (7)° in the other. All meth-oxy groups are approximately coplanar with the attached benzene rings, with Cmeth-yl-O-C-C torsion angles ranging from -6.7 (2) to 5.07 (19)°. In the crystal, independent mol-ecules are linked together by O-H⋯N and O-H⋯O hydrogen bonds and a π-π inter-action [centroid-centroid distance of 3.6030 (9) Å], forming a dimer. The dimers are further linked by weak C-H⋯O inter-actions and another π-π inter-action [centroid-centroid distance of 3.9452 (9) Å] into layers lying parallel to the ab plane.

| S-EPMC3914096 | biostudies-literature

(E)-N-(3,3-Di-phenyl-allyl-idene)-2-(tri-fluoro-meth-yl)aniline.

Project description:In the title compound, C22H16F3N, the C=N bond of the central imine group adopts an E conformation. The dihedral angles between the 2-(tri-fluoro-meth-yl)phenyl ring and the benzene rings are 9.34?(1) and 68.8?(1)°. The imine group displays a C-C-N=C torsion angle of 41.6?(3)°. In the crystal, weak C-H?F hydrogen bonds link the mol-ecules into chains parallel to the b-axis direction.

| S-EPMC3648283 | biostudies-literature

4-Chloro-N-(3,4,5-trimethoxy-benzyl-idene)aniline.

Project description:The title compound, C(16)H(16)ClNO(3), is a Schiff base displaying a trans configuration of the C=N double bond. In the crystal structure, inter-molecular C-H?N and bifurcated C-H?(O,O) hydrogen bonds are observed.

| S-EPMC2968176 | 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