Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 4-(benz-yloxy)-3-meth-oxy-benzo-ate.

ABSTRACT: In the title compound, C16H16O4, the aromatic rings are almost normal to one another, making a dihedral angle of 85.81?(10)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains propagating along the b-axis direction. There are also C-H?? inter-actions present which link the chains, forming two-dimensional networks lying parallel to (102).

SUBMITTER: Wang K

PROVIDER: S-EPMC3790423 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 4-(benz-yloxy)-3-meth-oxy-benzo-ate.

Wang Kai K Ju Chaofan C Xiao Jian J Chen Qiang Q

Acta crystallographica. Section E, Structure reports online 20130918 Pt 10

In the title compound, C16H16O4, the aromatic rings are almost normal to one another, making a dihedral angle of 85.81 (10)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains propagating along the b-axis direction. There are also C-H⋯π inter-actions present which link the chains, forming two-dimensional networks lying parallel to (102). ...[more]

PMID: 24098242

Similar Datasets

Methyl 4-benz-yloxy-7-meth-oxy-1-methyl-1H-indole-2-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(19)H(19)NO(4). The indole unit in each mol-ecule is essentially planar, with mean deviations of 0.017 (1) and 0.013 (1) Å and forms dihedral angles of 50.17 (7) and 26.05 (6)° with the phenyl ring. In the crystal, mol-ecules are linked by weak C-H⋯π inter-actions.

| S-EPMC3414935 | biostudies-literature

(2E)-Methyl 2-(7-benz-yloxy-1-naphth-yl)-3-meth-oxy-acrylate.

Project description:In the title compound, C(22)H(20)O(4), the dihedral angle between the phenyl and naphthalene ring systems is 86.10 (10)°. The methoxyacrylate group is disordered over two orientations in a 0.905 (3):0.095 (3) ratio.

| S-EPMC3007028 | biostudies-literature

Methyl 2-(2-{[(benz-yloxy)carbon-yl]amino}-propan-2-yl)-5-hy-droxy-6-meth-oxy-pyrimidine-4-carboxyl-ate.

Project description:In the title compound, C(18)H(21)N(3)O(6), the dihedral angle between the two aromatic rings is 61.1?(1)°. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds. An intra-molecular O-H?O hydrogen bonds is also present.

| S-EPMC3120492 | biostudies-literature

5-Azido-4-benz-yloxy-2-meth-oxy-6-methyl-perhydro-pyran-3-ol.

Project description:In the title compound, C(14)H(19)N(3)O(4), the perhydro-pyran ring adopts a chair conformation. An intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. In the crystal packing, mol-ecules are linked by O-H?O hydrogen bonds, forming infinite chains along [100].

| S-EPMC2977377 | biostudies-literature

4-(Benz-yloxy)phenyl 4-hexa-dec-yloxy-3-meth-oxy-benzoate.

Project description:In the title compound, C(37)H(50)O(5), the central benzene ring makes dihedral angles of 39.72?(14) and 64.43?(13)° with the benzyl and 3-meth-oxy-benzoate rings, respectively. The crystal structure is stabilized by inter-molecular C-H?? inter-actions involving the central benzene ring and the benzene ring closest to the aliphatic chain.

| S-EPMC3100024 | biostudies-literature

4-Benz-yloxy-2-bromo-1-meth-oxy-benzene.

Project description:In the title compound, C(14)H(13)BrO(2), the phenyl ring is oriented at a dihedral angle of 72.6 (3)° with respect to the bromo-meth-oxy-phenyl ring. The crystal structure is stabilized by weak inter-molecular C-H⋯O inter-actions.

| S-EPMC3200816 | biostudies-literature

1-Benz-yloxy-2,5-bis-(chloro-meth-yl)-4-meth-oxy-benzene.

Project description:In the title compound, C(16)H(16)Cl(2)O(2), the dihedral angle between the two rings is 52.65?(10)°. The two Cl atoms are trans to one another being displaced by 1.644?(5) and -1.664?(4)?Å from the plane of the benzene ring. Except for the two Cl atoms and the C atoms of the ring of the benz-yloxy group, all the other atoms of the compound lie in the same plane [maximum deviation = 0.056?(3)?Å]. In the crystal, no significant intermolecular interactions are observed.

| S-EPMC3414275 | biostudies-literature

Methyl 3-[4-(4-nitro-benz-yloxy)phen-yl]propano-ate.

Project description:The title compound, C(17)H(17)NO(5), crystallizes with two mol-ecules (A and B) in the asymmetric unit. The conformational structures of the two mol-ecules show small but significant differences in the dihedral angles between the two aryl rings with values of 18.8 (1)° for mol-ecule A and 7.5 (1)° for mol-ecule B. In mol-ecule A, the propano-ate group is twisted out of the plane of the benzene group [C(ar)-C(ar)-C-C torsion angle = -44.9 (2)°], while for mol-ecule B, this group lies closer to the plane [C(ar)-C(ar)-C-C torsion angle = 8.6 (3)°]. C-H⋯O inter-actions characterize the crystal-packing inter-actions in this compound.

| S-EPMC3393271 | biostudies-literature

1-[(3-Benz-yloxy-2-nitro-phen-oxy)meth-yl]benzene.

Project description:The asymmetric unit of the title compound, C(20)H(17)NO(4), consists of two crystallographically independent mol-ecules. In one of the mol-ecules, the central benzene ring forms dihedral angles of 2.26?(6) and 58.68?(6)° with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45?(6)°. The corresponding values for the other mol-ecule are 35.17?(6), 70.97?(6) and 69.62?(6)°, respectively. In the crystal, an inversion dimer linked by a pair of C-H?O hydrogen bonds occurs for one of the unique mol-ecules. C-H?? and ?-? [centroid-centroid distances = 3.7113?(8) and 3.7216?(7)?Å] inter-actions link the components into a three-dimensional network.

| S-EPMC3414184 | biostudies-literature

Ethyl ent-15?-[(2-meth-oxy-benz-yloxy)meth-yl]-16-oxobeyeran-20-oate.

Project description:The title compound, C(31)H(44)O(5), was synthesized from isostev-iol (systematic name: ent-16-ketobeyeran-19-oic acid). In the mol-ecule, the three six-membered rings adopt chair conformations and the stereochemistry of the A/B and B/C ring junctions are trans. The five-membered ring D adopts an envelope conformation with the methyl-ene C atom as the flap.

| S-EPMC3275241 | 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