Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1R,4R,7S)-1,7-Dimethyl-7-(phenyl-sulfonyl-meth-yl)spiro-[bicyclo-[2.2.1]heptane-2,2'-1,3-dioxolane].

ABSTRACT: In the title compound, C(18)H(24)O(4)S, the chiral bicyclo-[2.2.1]heptane group is not symmetrical due to the influence of the substituents. The angle between the three-atom bridge plane and the four-atom planes of the boat-shaped six-membered ring are 55.07?(19) and 56.24?(19)°. The bridgehead angle is 92.75?(17)°.

SUBMITTER: Wang YW

PROVIDER: S-EPMC2915015 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(1R,4R,7S)-1,7-Dimethyl-7-(phenyl-sulfonyl-meth-yl)spiro-[bicyclo-[2.2.1]heptane-2,2'-1,3-dioxolane].

Wang Ya-Wen YW Peng Yu Y

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(18)H(24)O(4)S, the chiral bicyclo-[2.2.1]heptane group is not symmetrical due to the influence of the substituents. The angle between the three-atom bridge plane and the four-atom planes of the boat-shaped six-membered ring are 55.07 (19) and 56.24 (19)°. The bridgehead angle is 92.75 (17)°. ...[more]

PMID: 21200933

Similar Datasets

rac-(rel-1R,2R,4S)-Spiro-[bicyclo-[2.2.1]heptane-2,3'-indol]-2'-amine.

Project description:In the racemic title compound, C(14)H(16)N(2), the aromatic ring component of the amino-indoline system occupies the endo cavity of the norbornane component. The aromatic ring lies at an angle of 74.12?(5)° to the plane defined by the four C atoms that comprises the rigid part of the boat-shaped six-membered ring of the norbornane unit. Pairs of mol-ecules assemble in the crystal structure, forming centrosymmetric hydrogen-bonded dimers via pairs of N-H?N hydrogen bonds through the syn H atom of the amine group.

| S-EPMC3051556 | biostudies-other

(1R,4R,6S,7S)-5,5-Di-chloro-1,4,8,8-tetra-methyl-tri-cyclo-[5.4.1(1,7).0(4,6)]dodecan-12-one.

Project description:The title compound, C16H24Cl2O, was synthesized in three steps from ?-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from essential oil of the Atlas cedar (cedrus atlantica). The asymmetric unit contains two independent mol-ecules with similar conformations. Each mol-ecule is built up from two fused seven-membered rings and an additional three-membered ring arising from the reaction of himachalene with di-chloro-carbene. The dihedral angles between the mean planes of the two seven-membered rings are 75.03?(9) and 75.02?(9)° in the two independent mol-ecules.

| S-EPMC3884353 | biostudies-literature

Genotoxic effect of 2,2'-bis(bicyclo[2.2.1] heptane) on bacterial cells.

Project description:The toxic effect of strained hydrocarbon 2,2'-bis (bicyclo[2.2.1]heptane) (BBH) was studied using whole-cell bacterial lux-biosensors based on Escherichia coli cells in which luciferase genes are transcriptionally fused with stress-inducible promoters. It was shown that BBH has the genotoxic effect causing bacterial SOS response however no alkylating effect has been revealed. In addition to DNA damage, there is an oxidative effect causing the response of OxyR/S and SoxR/S regulons. The most sensitive to BBH lux-biosensor was E. coli pSoxS-lux which reacts to the appearance of superoxide anion radicals in the cell. It is assumed that the oxidation of BBH leads to the generation of reactive oxygen species, which provide the main contribution to the genotoxicity of this substance.

| S-EPMC7444485 | biostudies-literature

N,N,2,5,7-Penta-phenyl-2,5,7-triaza-bicyclo-[2.2.1]heptane-3,6-diamine.

Project description:In the title compound, C(34)H(31)N(5), the observed molecular geometry suggests that anomeric effects are present in terms of short C-N bond lengths and reduced pyramidality of the N atoms.

| S-EPMC2977394 | biostudies-literature

catena-Poly[[diaqua-copper(II)]-?-7-oxa-bicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato].

Project description:In the crystal structure of the title compound, [Cu(C(8)H(8)O(5))(H(2)O)(2)](n), the Cu(II) cation is in a Jahn-Teller distorted six-coordination by two O atoms from water molecules, by the bridging O atom from the bicyclo moiety, by two carboxylate O atoms from two different carboxylate groups and by one carboxylate O atom from a symmetry-related bridging ligand.The polymeric structure is made up from double-strands propagating parallel to the c axis that are held together via inter-molecular O-H?O hydrogen bonds.

| S-EPMC2968279 | biostudies-literature

tert-Butyl 3-oxo-2-oxa-5-aza-bicyclo-[2.2.1]heptane-5-carboxyl-ate.

Project description:The title compound, C(10)H(15)NO(4), also known as N-tert-butyl-oxycarbonyl-allohydr-oxy-l-proline lactone, is quite similar to N-acetyl-allohydr-oxy-l-proline lactone [Lenstra, Petit & Geise (1979 ?). Cryst. Struct. Commun. 8, 1023-1029], whereby both carbonyl groups point roughly in the same direction because of the trans conformation of the peptide bond.

| S-EPMC2959344 | biostudies-literature

Heptane-1,7-diaminium dinitrate.

Project description:In the title molecular salt, C(7)H(20)N(2) (2+)·2NO(3) (-), the crystal structure exhibits an unusual back-to-back paired double-stacked packing arrangement culminating in an overall double zigzag pattern of the dications. The nitrate anions form a ring around one pair of double-stacked dications. An intricate three-dimensional N-H?O and N-H?(O,O) hydrogen-bonding network exists in the crystal structure.

| S-EPMC3247406 | biostudies-literature

Crystal structure of benzyl 3-oxo-2-oxa-5-aza-bicyclo-[2.2.1]heptane-5-carboxyl-ate.

Project description:The title compound, C13H13NO4 (also known as N-benzyl-oxycarbonyl-4-hy-droxy-l-proline lactone), crystallizes with two mol-ecules in the asymmetric unit. They have slightly different conformations: the fused ring systems almost overlap, but different C-O-C-C torsion angles for the central chains of -155.5 (2) and -178.6 (2)° lead to different twists for the terminal benzene ring. In the crystal, the mol-ecules are linked by C-H⋯O inter-actions, generating a three-dimensional network. The absolute structure was established based on an unchanging chiral centre in the synthesis.

| S-EPMC4518953 | biostudies-literature

(1S*,2R*,3S*,4R*,5R*)-5-Tetra-decyloxy-methyl-7-oxabicyclo-[2.2.1]heptane-2,3-dicarb-oxy-lic anhydride.

Project description:In the title compound, C23H38O5, the oxabicyclo-[2.2.1]heptane-2,3-dicarb-oxy-lic anhydride unit has a normal geometry and the tetra-decoxymethyl side chain is fully extended. In the crystal, mol-ecules are linked head-to-head by C-H⋯O hydrogen bonds, forming two-dimensional networks propagating along the a and c-axis directions.

| S-EPMC3588970 | biostudies-literature

1,5-Asymmetric induction during nucleophilic additions to arenetricarbonylchromium complexes: tricarbonyl(eta(6)-1-methyl-4-{spiro[(1R,2S)-1,7,7-trimethylbicyclo[2.2.1]heptane-3,2'-1,3-dioxolan]-2-yloxy}benzene)chromium.

Project description:The tricarbonylchromium unit bound to the arene ring of the chiral title complex, [Cr(C(19)H(26)O(3))(CO)(3)], is rotated by ca 25 degrees in agreement with the proposed mechanism for 1,5-asymmetric induction of nucleophilic attack.

| S-EPMC2631130 | 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