Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1SR,2RS,3SR,5SR,6RS)-6-[(Z)-1-Acet-oxy-2-phenyl-ethen-yl]-3-eth-oxy-2-phenyl-bicyclo-[3.1.0]hexan-1-yl acetate.

ABSTRACT: The mol-ecule of the title compound, C(26)H(28)O(5), is chiral with five stereogenic centres; however, the centrosymmetric triclinic group gives a racemic crystal. The fused ring system adopta boat conformation in which the cyclo-propane ring plane is roughly perpendicular to the styryl group plane, forming a dihedral angle of 74.78?(19)°. The dihedral angle between the two benzene rings is 77.24?(6)°.

SUBMITTER: Hu WX

PROVIDER: S-EPMC3051501 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(1SR,2RS,3SR,5SR,6RS)-6-[(Z)-1-Acet-oxy-2-phenyl-ethen-yl]-3-eth-oxy-2-phenyl-bicyclo-[3.1.0]hexan-1-yl acetate.

Hu Wen-Xiang WX Xu Gao G Wei Guo-Qiang GQ

Acta crystallographica. Section E, Structure reports online 20110129 Pt 2

The mol-ecule of the title compound, C(26)H(28)O(5), is chiral with five stereogenic centres; however, the centrosymmetric triclinic group gives a racemic crystal. The fused ring system adopta boat conformation in which the cyclo-propane ring plane is roughly perpendicular to the styryl group plane, forming a dihedral angle of 74.78 (19)°. The dihedral angle between the two benzene rings is 77.24 (6)°. ...[more]

PMID: 21523163

Similar Datasets

(1R,2R,3R,4R,5S)-2,3-Bis[(2S')-2-acet-oxy-2-phenyl-acet-oxy]-4-azido-1-[(2,4-dinitro-phen-yl)hydrazono-meth-yl]bicyclo-[3.1.0]hexa-ne.

Project description:In the title compound, C(38)H(29)N(7)O(12), the five-membered ring adopts an envelope conformation in which the 'flap' is cis to the cyclo-propane group. This conformation is similar to those of other bicyclo-[3.1.0]hexane analogues for which crystal structures have been reported. The absolute configuration of the stereogenic centers on the cyclo-pentane ring, as determined by comparison with the known configurations of the stereogenic centers in the (2S)-2-acet-oxy-2-phenyl-acet-oxy groups, is 1(R), 2(R), 3(R), 4(R) and 5(S). An intramolecular N-H?O hydrogen bond is present.

| S-EPMC2960152 | biostudies-other

(1R,3R,4R,6S)-4-(7-Meth-oxy-2-oxo-2H-chromen-6-yl)-1-methyl-3,6-dioxa-bicyclo-[3.1.0]hexan-2-yl acetate.

Project description:In the title compound, C17H16O7, which was isolated from the leaves of Micromelum integerrimum, the furan ring adopts an envelope conformation with the O atom as the flap. An intra-molecular C-H?O hydrogen bond occurs. The carbonyl O atom is disordered in a 0.57?(8):0.43?(8) ratio. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds into a C(10) chain along [010].

| S-EPMC3589005 | biostudies-literature

Disodium (2RS,3SR)-tartrate.

Project description:The asymmetric unit of the anhydrous title compound, 2Na(+)·C(4)H(4)O(6) (2-), contains two sodium cations and one tartrate anion. Each sodium ion is six coordinate, with bonding to six O atoms from both the carboxyl-ate and hydroxyl groups of the anion. A three-dimensional coordination network is formed with sodium ions stacking in layers along the c-axis direction. This network is supported by additional O-H?O hydrogen bonds.

| S-EPMC2970502 | biostudies-literature

2-(Methoxy-meth-oxy)-1-(4-oxobicyclo-[3.1.0]hexan-1-yl)ethyl 4-nitro-benzoate.

Project description:In the title compound, C(17)H(19)NO(7), the cyclo-pentane ring is in an envelope conformation in which the methyl-ene group forming the flap is cis to the cyclo-propane group. The relative configuration between the 4-nitro-benzo-yloxy substituent on the side chain and the cyclo-propane ring is trans and the methoxy-lmethyl group adopts the expected conformation in which the two O atoms are gauche to one another.

| S-EPMC2915371 | biostudies-literature

(1S,5R)-1-(3,4-Dichloro-phen-yl)-3-oxa-bicyclo-[3.1.0]hexan-2-one.

Project description:The absolute structure has been determined by X-ray analysis for the title compound, C(11)H(8)Cl(2)O(2). The five-membered ring of the mol-ecule is best described as a flattened envelope conformation with the methyl-ene C atom located 0.208?(2)?Å below the plane formed by the other four atoms. A weak intermolecular C-H?O hydrogen bond is present in the crystal structure.

| S-EPMC2968819 | biostudies-other

1-[2,2-Bis(phenyl-sulfon-yl)ethen-yl]-4-meth-oxy-benzene.

Project description:In the title compound, C(21)H(18)O(5)S(2), the two sulfur-bound phenyl rings lie on opposite sides of the meth-oxy-phenyl group, making dihedral angles of 77.58?(8) and 87.45?(8)°with it. The dihedral angle between the sulfur-bound phenyl rings is 57.31?(8)°. In the crystal, ?-? stacking is observed between the two sulfur-bound phenyl rings, with a centroid-centroid distance of 3.878?(1)?Å and a dihedral angle of 7.58?(8)°. The mol-ecules are linked by weak C-H?O and C-H?? contacts.

| S-EPMC3275222 | biostudies-literature

(1RS,2RS,3RS)-1,2-Dimeth-oxy-3-methyl-2-phenyl-1-(2-thien-yl)cyclo-propane.

Project description:In the title compound, C(16)H(18)O(2)S, a new cis-1,2-dimethoxy-cyclo-propane, the two meth-oxy groups are in a cis configuration and in trans positions with respect to the H atom and the phenyl and thienyl rings on the cyclo-propyl group. The mol-ecular packing is dominated by weak inter-molecular C-H?O inter-actions, allowing the formation of zigzag chains propagating parallel to the c axis. The dihedral angle between the aromatic rings is 86.12?(8)°.

| S-EPMC2969068 | biostudies-literature

2-Phenyl-N'-(2-phenyl-acet-yl)acetohydrazide.

Project description:In the title compound, C(16)H(16)N(2)O(2), the N'-acetyl-acetohydrazide group is approximately planar (r.m.s. deviation = 0.018?Å for the eight non-H atoms) and makes dihedral angles of 81.92?(6) and 65.19?(6)° with the terminal phenyl rings. The phenyl rings form a dihedral angle of 62.60?(7)°. In the crystal, mol-ecules are linked into sheets lying parallel to (001) by N-H?O and C-H?O hydrogen bonds. One O atom accepts one N-H?O and one C-H?O hydrogen bond and the other O atom accepts one N-H?O and two C-H?O hydrogen bonds. The N-H?O hydrogen bonds lead to R(2) (2)(8) loops and the C-H?O hydrogen bonds generate R(2) (1)(6) loops.

| S-EPMC3379276 | biostudies-literature

4-Allyl-2-meth-oxy-phenyl 2-acet-oxy-benzoate.

Project description:In the title compound, C(19)H(18)O(5), the ester group is twisted with respect to the acetyl-salicylic acid and eugenol rings at dihedral angles of 22.48?(2) and 81.07?(1)°, respectively. The dihedral angle between the two benzene rings is 60.72?(1)°. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC3152028 | biostudies-literature

2-[(2-Acet-oxy-benzo-yl)-oxy]benzoic acid.

Project description:The title compound, C(16)H(12)O(6), is a common impurity of ortho-acetyl-salicylic acid (aspirin). The benzene rings form a dihedral angle of 81.9 (1)° while the acetyl and carboxyl groups form dihedral angles of 74.0 (1) and 26.4 (2)°, respectively, with the benzene rings to which they are bound. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds between the carboxyl groups, forming inversion dimers.

| S-EPMC3393920 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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