Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Eth-oxy-3-meth-oxy-benzaldehyde.

ABSTRACT: In the title compound, C10H12O3, all non-H atoms are approximately coplanar, with an r.m.s. deviation of 0.046?Å. In the crystal, very weak C-H?O inter-actions link the mol-ecules into sheets parallel to (101).

SUBMITTER: Leka Z

PROVIDER: S-EPMC3885015 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Eth-oxy-3-meth-oxy-benzaldehyde.

Leka Zorica Z Novaković Sladjana B SB Bogdanović Goran A GA Muškinja Jovana J Vukićević Rastko D RD

Acta crystallographica. Section E, Structure reports online 20131106 Pt 12

In the title compound, C10H12O3, all non-H atoms are approximately coplanar, with an r.m.s. deviation of 0.046 Å. In the crystal, very weak C-H⋯O inter-actions link the mol-ecules into sheets parallel to (101). ...[more]

PMID: 24454190

Similar Datasets

2-(2-{2-[2-(Dibromo-meth-yl)phen-oxy]eth-oxy}benz-yloxy)benzaldehyde.

Project description:The mol-ecule of the title compound, C(23)H(20)Br(2)O(4), adopts a Z conformation as a result of inter-molecular C-H⋯Br bonding. One benzene ring, with the structure R-CHBr(2), makes a dihedral angle of 63.0 (2)° with the other benzene ring attached to the aldehyde group. Inter-molecular π-π stacking inter-actions [centroid-centroid distance = 3.698 (4) Å] and a weak C-H⋯Br contact is present in the crystal structure.

| S-EPMC3052107 | biostudies-literature

4-{2-[2-(4-Formyl-phen-oxy)eth-oxy]eth-oxy}benzaldehyde.

Project description:The title compound, C(18)H(18)O(5), was obtained by the reaction of 4-hy-droxy-benzaldehyde with bis-(2,2-dichloro-eth-yl) ether in dimethyl-formamide. In the crystal, the mol-ecule lies on a twofold rotation axis that passes through the central O atom of the aliphatic chain, thus leading to one half-mol-ecule being present per asymmetric unit. The carbonyl, aryl and O-CH(2)-CH(2) groups are almost coplanar, with an r.m.s. deviation of 0.030?Å. The aromatic rings are approximately perpendicular to each other, forming a dihedral angle of 78.31?sh;H?O hydrogen bonds and C-H?? inter-actions help to consolidate the three-dimensional network.

| S-EPMC3120494 | biostudies-literature

3-Eth-oxy-4-hydroxy-benzaldehyde.

Project description:The title compound (ethyl vanillin), C(9)H(10)O(3), an important food additive and flavouring agent approved by FAO/WHO, has a vanilla odor four times that of vanillin and shows anti--mutagenic activity. There are two mol-ecules in the asymmetric unit, each having a planar conformation and an intramolecular O-H?O bond. Mol-ecules are connected side-by-side, building infinite ribbons along cvia inter-molecular O-H?O hydrogen bonds between the carbonyl and hydroxyl groups. The ribbons are then packed into layers perpendicular to the a axis.

| S-EPMC2959403 | biostudies-literature

4-(1H-Benzimidazol-2-ylmeth-oxy)-3-eth-oxy-benzaldehyde trihydrate.

Project description:In the title compound, C(17)H(16)N(2)O(3)·3H(2)O, the dihedral angle between the mean planes of the benzene and benzimidazole systems is 26.2?(3)°. These groups are slightly twisted around the eth-oxy-methane unit [C-C-O-C torsion angle = 177.64?(15)°]. The crystal packing is stabilized by N-H?O, O-H?N and O-H?O hydrogen-bond inter-actions involving the water mol-ecules. Weak ?-? stacking inter-actions [centroid-centroid distances = 3.7943?(7), 3.6919?(13) and 3.7533?(14)?Å] contribute to the mol-ecular stability.

| S-EPMC3007197 | biostudies-literature

Crystal structure of 4-(4-meth-oxy-phen-oxy)benzaldehyde.

Project description:The title compound, C14H12O3, was synthesized via the nucleophilic addition of 4-meth-oxy-phenol to 4-fluoro-benzaldehyde. The dihedral angle between the least-squares planes of the benzene rings is 71.52 (3)° and the C-O-C angle at the central O atom is 118.82 (8)°. In the crystal, weak C-H⋯O hydrogen bonds link the molecules to generate supra-molecular layers in the bc plane. The layers are linked by weak C-H⋯π inter-actions.

| S-EPMC4719957 | biostudies-literature

4-Eth-oxy-phenyl 4-[(meth-oxy-carbon-yl)-oxy]benzoate.

Project description:In the title compound, C(17)H(16)O(6), the two benzene rings form a dihedral angle of 54.95?(10)°. Only weak inter-molecular inter-actions are present in the crystal structure, viz. C-H?O hydrogen bonds and C-H?? inter-actions involving one of the benzene rings.

| S-EPMC3011779 | biostudies-literature

4-Hy-droxy-3-meth-oxy-benzaldehyde thio-semicarbazone.

Project description:In the title compound, C9H11N3S, there is an intra-molecular O-H⋯O hydrogen bond involving the OH group and the adjacent methoxy O atom. The mol-ecule is essentially planar, with the maximum deviation from the mean plane of the non-H atoms being 0.1127 (14) Å for the methyl C atom. In the crystal, mol-ecules are connected via centrosymmetric pairs of N-H⋯S and O-H⋯O hydrogen bonds into a two-dimensional network parallel to (10-3).

| S-EPMC3885096 | biostudies-literature

2-Hy-droxy-4-meth-oxy-benzaldehyde thio-semicarbazone.

Project description:The title Schiff base compound, C(9)H(11)N(3)O(2)S, was prepared by the reaction of equimolar quanti-ties of 2-hy-droxy-4-meth-oxy-benzaldehyde with thio-semicarbazide in methanol. The mol-ecule adopts a trans configuration with respect to the azo-methine group and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O and N-H⋯S hydrogen bonds, forming a three-dimensional network.

| S-EPMC3008052 | biostudies-literature

2,4-Dimeth-oxy-6-[(E)-2-(4-meth-oxy-phenyl)ethen-yl]benzaldehyde.

Project description:There are two conformationally similar mol-ecules in the asymmetric unit of he title compound, C18H18O4, in which the dihedral angles between the benzene rings are 23.54 (12) and 31.11 (12)°. In the crystal, C-H⋯π inter-actions (minimum H⋯ring centroid distance = 2.66 Å) link the mol-ecules into a layered structure extending down a.

| S-EPMC3647830 | biostudies-literature

2-Hy-droxy-3-meth-oxy-benzaldehyde (o-vanillin) revisited.

Project description:The structure of ortho-vanillin, C(8)H(8)O(3), has been revisited with modern methods and at low temperature (100?K). The previous structure [Iwasaki et al. (1976 ?). Acta Cryst. B32, 1264-1266] is confirmed, but geometric precision is improved by an order of magnitude. The C atom of the meth-oxy group lies close to the benzene ring plane, which is the most common geometry for -OMe groups lying ortho to -OH groups on an aromatic ring. The crystal structure displays one intra-molecular O-H?O and three weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3414273 | 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