Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-(Biphenyl-4-yl)-3-(3-meth-oxy-benzyl-idene)furan-2(3H)-one.

ABSTRACT: In the title compound, C(24)H(18)O(3), the dihedral angles between the mean planes of the five-membered furan ring and the meth-oxy-substituted benzene and the adjacent and outer biphenyl benzene rings are 2.43 (7), 4.48 (7) and 30.47 (8)°, respectively. The crystal packing is stabilized by weak C-H⋯O and C-H⋯π inter-molecular hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances = 3.8752 (8) and 3.8331 (8) Å].

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC3200951 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

N-[(Z)-4-Meth-oxy-benzyl-idene](meth-oxy-carbon-yl)methanamine oxide.

Project description:The title compound, C(11)H(13)NO(4), contains a nitrone group, C=N-O-R, the geometry of which shows a Z configuration with near planarity (r.m.s. deviation = 0.0787 Å) around the C=N double bond. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal packing, mol-ecules are linked into R(2) (2)(12) dimers and R(2) (2)(14) rings via C-H⋯O inter-molecular hydrogen bonds.

| S-EPMC3008080 | biostudies-literature

3-(3-Meth-oxy-benzyl-idene)chroman-4-one.

Project description:In the title compound, C(17)H(14)O(3), the dihedral angle between the meth-oxy-benzene unit and the benzene ring of the chromanone system is 64.12 (3)°. The crystal structure is stabilized by weak C-H⋯O inter-actions.

| S-EPMC3343972 | biostudies-literature

(Z)-2-{2,4-Dimeth-oxy-6-[(E)-4-meth-oxy-styr-yl]benzyl-idene}quinuclidin-3-one.

Project description:The crystal structure of the title compound, C(25)H(27)NO(4), shows the presence of a double bond with Z geometry which connects the quinuclidin-3-one ring and the trimeth-oxy-resveratrol moiety. The dihedral angle between the two benzene rings in the stilbene skeleton is 32.80?(8)°.

| S-EPMC3295501 | biostudies-literature

3-({4-[(2-Methyl-benzyl-idene)amino]-5-sulfanyl-idene-1H-1,2,4-triazol-3-yl}meth-yl)-1,3-benzoxazol-2(3H)-one.

Project description:In the title compound, C(18)H(15)N(5)O(2)S, a weak intra-molecular C-H?S hydrogen bond results in a small dihedral angle of 3.71?(9)° between the methyl-phenyl and triazole rings, which, in turn, form dihedral angles of 80.09?(8) and 77.32?(8)°, respectively, with the benzoxazolone mean plane. In the crystal, N-H?O hydrogen bonds link mol-ecules into chains along [001], and weak C-H?N hydrogen bonds and ?-? inter-actions between the five- and six-membered rings [centroid-centroid distances = 3.5074?(11) and 3.616?(1)?Å] consolidate the crystal packing.

| S-EPMC3569233 | biostudies-literature

(2-Meth-oxy-benz-yl)(2-meth-oxy-benzyl-idene)aza-nium (2-meth-oxy-phen-yl)methanaminium tetra-chloridozincate(II) monohydrate.

Project description:The title compound, (C(8)H(12)NO)(C(16)H(18)NO(2))[ZnCl(4)]·H(2)O, was obtained as a by-product of the Zn(2+) and HCl catalyzed condensation of (2-meth-oxy-phen-yl)methanamine in water. Both cations feature an intra-molecular N-H?O hydrogen bond. In the crystal, the components are linked by an extensive three-dimensional network of N-H?O, O-H?Cl and N-H?Cl hydrogen bonds (three of them bifurcated). Weak C-H?O intera-ctions also occur.

| S-EPMC3006710 | 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

8-Meth-oxy-3-(4-methyl-benzyl-idene)-6-(prop-1-en-yl)chroman-4-one.

Project description:In the title compound, C(21)H(20)O(3), the tolyl ring makes a dihedral angle of 31.11 (6)° with the benzene ring of the chromanone unit. The pyrone ring adopts a half-chair conformation. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O inter-action and the crystal packing is stabilized by weak inter-molecular C-H⋯O inter-actions and a C-H⋯π inter-action.

| S-EPMC2914988 | biostudies-literature

(E)-2-[4-(Trifluoro-meth-oxy)benzyl-idene]indan-1-one.

Project description:In the title compound, C(17)H(11)F(3)O(2), the dihydro-indene ring is approximately planar with a maximum deviation of 0.024?(2)?Å and makes a dihedral angle of 3.17?(8)?Å with the adjacent benzene ring. In the crystal, mol-ecules are inter-connected by C-H?O inter-actions, forming an infinite chain along the c axis.

| S-EPMC3213585 | 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