Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Kaewmanee N

PROVIDER: S-EPMC3914096 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-[(2-Meth-oxy-benzyl-idene)amino]-phenol.

Project description:In the title compound, C(14)H(13)NO(2), the azomethine double bond adopts an E conformation and the benzene rings form a dihedral angle of 77.70?(7)°. In the crystal, mol-ecules are linked by O-H?N and C-H?O hydrogen bonds and arranged in a zigzag fashion, forming infinite chains parallel to the c axis, resulting in a graph-set R(2) (2)(9) motif.

| S-EPMC3344564 | biostudies-literature

2-[({2-[(2-Hy-droxy-5-meth-oxy-benzyl-idene)amino]-eth-yl}imino)-meth-yl]-4-meth-oxy-phenol.

Project description:The asymmetric unit of the title compound, C(18)H(20)N(2)O(4), contains one-half mol-ecule with an inversion center located at the centroid of the mol-ecule. In the crystal, mol-ecules are linked by C-H?? inter-actions, forming layers parallel to (101). An intra-molecular O-H?N hydrogen bond also occurs.

| S-EPMC3379345 | 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-[(E)-2-Hy-droxy-5-(trifluoro-meth-oxy)benzyl-idene-amino]-4-methyl-phenol.

Project description:The title compound, C(15)H(12)F(3)NO(3), is a Schiff base which adopts the cis-quinoid form in the solid state. The dihedral angle between the least-squares planes of the benzene rings being 3.6?(1)°. The F atoms of the -CF(3) group are disordered over two sets of sites with refined occupancies of 0.61?(5) and 0.39?(5). An intra-molecular N-H?O hydrogen bond occurs. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds.

| S-EPMC3050197 | biostudies-literature

4-[(E)-(4-Eth-oxy-benzyl-idene)amino]-phenol.

Project description:The mol-ecule of the title compound, C15H15NO2, adopts a trans conformation with respect to the methyl-idene C=N bond and is twisted with a dihedral angle of 26.31?(5)° between the two substituted benzene rings. The eth-oxy group is almost coplanar with the bound benzene ring with a C-O-C-C torsion angle of -179.08?(9)°. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds and weak C-H?O inter-actions into chains propagating in the [011] and [01-1] directions. C-H?? inter-actions are also present.

| S-EPMC3685059 | biostudies-literature

2-{[2-(2-Hy-droxy-3-meth-oxy-benzyl-idene)hydrazin-1-yl-idene]meth-yl}-6-meth-oxy-phenol.

Project description:The title compound, C(16)H(16)N(2)O(4), was obtained from the reaction of hydrazine hydrate and o-vanilin in absolute ethanol. The mol-ecule is almost planar (except for the methyl H atoms), with a mean deviation from the plane of 0.0259?Å. The mol-ecular structure also exhibits an approximate non-crystallographic twofold axis. Intra-molecular O-H?N hydrogen bonds occur. In the crystal, inter-molecular C-H?O hydrogen bonds generate mol-ecular zigzag sheets. The sheets stack through C-H?? inter-actions, leading to a three-dimensional-network.

| S-EPMC3201493 | biostudies-literature

2-{[2-(2-Hy-droxy-5-meth-oxy-benzyl-idene)hydrazin-1-yl-idene]meth-yl}-4-meth-oxy-phenol.

Project description:The title phenyl-hydrazine derivative, C16H16N2O4, has a crystallographically imposed centre of symmetry. Except for the methyl group, all non-H atoms are almost coplanar (r.m.s. deviation = 0.0095 Å). Intra-molecular O-H⋯N hydrogen bonds are observed, generating S(6) graph-set ring motifs.

| S-EPMC3998297 | biostudies-literature

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

Project description: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.

| S-EPMC3793738 | biostudies-literature

4-(2,3,4-Trimeth-oxy-6-methyl-benzyl-idene-amino)phenol.

Project description:The asymmetric unit of the title compound, C(17)H(19)NO(4), contains two independent mol-ecules in which the dihedral angles between the two benzene rings are 83.1 (2) and 88.5 (2)°. Each mol-ecule adopts a trans configuration with respect to the C=N bond. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯N hydrogen bonds, forming two independent one-dimensional chains running along the b-axis direction.

| S-EPMC2969002 | biostudies-literature

4-[(4-Meth-oxy-benzyl-idene)amino]-benzene-sulfonamide.

Project description:The title Schiff base compound, C(14)H(14)N(2)O(3)S, is non-planar, with a dihedral angle of 24.16?(7)° between the benzene rings. In the crystal, N-H?O and N-H?N hydrogen bonds link the mol-ecules into a layer parallel to (011). Intra- and inter-layer C-H?O inter-actions and ?-? inter-actions [centroid-centroid distances = 3.8900?(9) and 3.9355?(8)?Å] are also present.

| S-EPMC3379209 | 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