Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(2-Hydr-oxy-3,4-dimethoxy-phen-yl)-2-(4-methoxy-phen-yl)ethanone.

ABSTRACT: In the title compound, C(17)H(18)O(5), the pyrogallol group is almost coplanar with the mean plane of the attached carbonyl group [dihedral angle of 1.95 (13)°] and makes a dihedral angle of 56.01 (10)° with the other benzene ring. Of the three meth-oxy groups, only one is significantly twisted relative to its attached benzene ring [C-O-C-C torsion angles of 4.0 (5), 3.9 (6) and -106.3 (4)°]. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds help to establish the conformation, and the packing is consolidated by C-H⋯O inter-actions and π-π stacking interactions [centroid-centroid separation = 3.735 (2) Å].

SUBMITTER: Xiao ZP

PROVIDER: S-EPMC2959998 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

1-(5-Bromo-2-hydr-oxy-4-methoxy-phen-yl)ethanone.

Project description:In the title compound, C(9)H(9)BrO(3), the dihedral angle between the ethanone group and the aromatic ring is 3.6?(2)°. The mol-ecular conformation is consolidated by an intra-molecular O-H?O hydrogen bond. The crystal structure is stabilized by ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.588?(2)?Å].

| S-EPMC2977251 | biostudies-literature

2,2-Dibromo-1-(4-hydr-oxy-3-methoxy-phen-yl)ethanone.

Project description:The mol-ecule of the title compound, C(9)H(8)Br(2)O(3), is stabilized by an intra-molecular O-H?O inter-action. Inter-molecular C-H?O inter-actions connect mol-ecules into a two-dimensional array in the bc plane; connections between these are afforded by ?-? stacking inter-actions [centroid-centroid distance 3.596?(5)?Å].

| S-EPMC2969289 | biostudies-literature

1-(4-Hydr-oxy-3,5-dimethoxy-phen-yl)ethanone.

Project description:In the title mol-ecule, C(10)H(12)O(4), the non-H atoms are essentially coplanar (r.m.s. deviation = 0.033?Å). In the crystal, mol-ecules are linked into chains along [001] by O-H?O hydrogen bonds.

| S-EPMC2971891 | biostudies-other

1-(2-Hydr-oxy-5-methoxy-phen-yl)ethan-1-one N-[(E)-1-(2-hydr-oxy-5-methoxy-phen-yl)ethyl-idene]hydrazone.

Project description:In the title mol-ecule, C(18)H(20)N(2)O(4), which resides on a crystallographic centre of inversion (at the centre of the N-N bond), all non-H atoms apart from the meth-oxy substituent are approximately coplanar. The structure displays intra-molecular O-H⋯N hydrogen bonding.

| S-EPMC2915233 | biostudies-literature

N-[(2-Hydr-oxy-5-methoxy-phen-yl)(3-nitro-phen-yl)meth-yl]acetamide.

Project description:In the title compound, C(16)H(16)N(2)O(5), the meth-oxy group is disordered with site occupancies of 0.20 (3) and 0.80 (3). The dihedral angle between the two aromatic rings is 73.7 (2)°. The crystal structure is characterized by intermolecular N-H⋯O, O-H⋯O, C-H⋯O and C-H⋯π hydrogen bonds.

| S-EPMC2968863 | biostudies-literature

threo-2-(2,6-Dimethoxy-phen-oxy)-1-(4-eth-oxy-3-methoxy-phen-yl)propane-1,3-diol.

Project description:In the crystal structure of the title compound, C(20)H(26)O(7), a lignin model compound, the asymmetric unit contains two mol-ecules which adopt almost identical overall conformations with some deviation in the region of the terminal hydroxyl groups. The two mol-ecules are linked by an inter-molecular O-H?O hydrogen bond. They also develop intra-molecular O-H?O hydrogen bonds.

| S-EPMC2969663 | biostudies-literature

1-(2-Hydr-oxy-5-methyl-phen-yl)ethanone [(1H-indol-3--yl)acet-yl]hydrazone.

Project description:The indolyl -NH group of the title Schiff base, C(19)H(19)N(3)O(2), forms a hydrogen bond to the -OH group of an inversion-related mol-ecule, resulting in a hydrogen-bonded dimer; adjacent dimers are further linked through an inter-dimer N-H⋯O hydrogen bond involving the -C(=O)-NH-N=fragment to form a linear ribbon that runs along the a axis.

| S-EPMC2961215 | biostudies-literature

2-(2,6-Dimethoxy-phen-yl)-5-hydr-oxy-7-meth-oxy-4H-1-benzopyran-4-one.

Project description:In the title compound, C(18)H(16)O(6), the dimethoxy-phenyl ring is rotated by 61.8?(1)° from the plane of the benzopyran system. The mol-ecule is stabilized by an intra-molecular O-H?O hydrogen bond.

| S-EPMC2970052 | biostudies-literature

Bis[4-(2-hydr-oxy-3-methoxy-benzyl-ideneamino)phen-yl] ether.

Project description:The title compound, C(28)H(24)N(2)O(5), a flexible Schiff base ligand, was prepared in high yield by a Schiff base condensation of 3-methoxy-salicylaldehyde and bis-(4-amino-phen-yl) ether in methanol. The mol-ecule lies on a twofold rotation axis, and each half exhibits an imine E configuration and an O-H?N hydrogen bond. The dihedral angle between the two benzene rings attached to the central O atom is 69.22?(6)°, and that between each of these rings and the other benzene ring in the same half of the mol-ecule is 24.29?(11)°, illustrating the degree of twisting of the flexible mol-ecule.

| S-EPMC2961534 | biostudies-literature

2-Acetamido-3-(4-hydr-oxy-3-methoxy-phen-yl)acrylic acid.

Project description:In the title compound, C(12)H(13)NO(5), the azlactone of vanillin, the acrylic acid side chain has a trans extended conformation. There are inter-molecular N-H?O and O-H?O hydrogen bonds in the crystal structure.

| S-EPMC2960767 | 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