Browse
Submit Data
Databases
API
Help

Dataset Information

39 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Kelly CN

PROVIDER: S-EPMC3588970 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Kelly Colin N CN Sulon Sarah M SM Pham Lam N LN Xiang Kang Rui KR Sykora Richard E RE Forbes David C DC

Acta crystallographica. Section E, Structure reports online 20121117 Pt 12

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. ...[more]

PMID: 23476206

Similar Datasets

(1S*,2S*,4R*,5R*)-Cyclo-hexane-1,2,4,5-tetra-carb-oxy-lic acid.

Project description:The title compound, C10H12O8, a prospective raw material for colourless polyimides which are applied to electronic and microelectronic devices, lies about an inversion centre and the cyclo-hexane ring adopts a chair conformation. Two crystallographycally independent carb-oxy-lic acid groups on adjacent C atoms are in equatorial positions, resulting in a mutually trans conformation. In the crystal, O-H⋯O hydrogen bonds around an inversion centre and a threefold rotoinversion axis, respectively, form an inversion dimer with an R 2 (2)(8) motif and a trimer with an R 3 (3)(12) motif.

| S-EPMC3914102 | biostudies-literature

2-Ethyl-8-methoxy-methyl-4-oxo-4H-chromen-7-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo-[2.2.1]heptane-1-carboxyl-ate.

Project description:The title compound C(23)H(26)O(7), was prepared by esterification of 2-ethyl-7-hydr-oxy-8-methoxy-methyl-4H-chromen-4-one with (S)-(-)-camphanic chloride. The two rings of the chromone system are coplanar, making a dihedral angle of 1.99 (19)°, and the camphanoyl unit substituted at 7-O retains the original bicyclo-[2.2.1]heptane conformation of the starting reagent.

| S-EPMC2979559 | biostudies-literature

(-)-(1S,5R)-2-Oxabicyclo-[3.3.1]nonan-3-one.

Project description:In the title compound, C(8)H(12)O(2), the cyclo-hexane ring exhibits a chair conformation and the δ-lactone ring is axially bonded to the cyclo-hexane ring. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, resulting in ribbons extending along [010].

| S-EPMC2979232 | biostudies-literature

Naphthalene-1,8-dicarb-oxy-lic anhydride: a monoclinic polymorph.

Project description:A new type of naphthalene-1,8-dicarb-oxy-lic anhydride, C(12)H(6)O(3), was synthesized hydro-thermally. Unlike the two previously reported polymorphs, which crystallize in the ortho-rhom-bic space groups P2(1)2(1)2(1) [Shok et al. (1971). Kristallografiya, 16, 500-502; Grigor'eva & Chetkina (1975). Kristallografiya, 20, 1289-1290] and Pbca [Shok & Gol'der (1970). Zh. Strukt. Khim.11, 939-940], this present structure crystallizes in the monoclinic space group P2(1)/c. In this structure, the planar [total puckering amplitude Q = 0.0362 (15)] mol-ecules lie parallel to each other along the a axis.

| S-EPMC2983304 | biostudies-literature

4,5-Dicarb-oxy-naphthalene-1,8-dicarb-oxy-lic anhydride-1,10-phenanthroline (1/1).

Project description:In the crystal structure of the title 1:1 adduct, C(12)H(8)N(2)·C(14)H(6)O(7), the carboxyl groups are involved in inter-molecular O-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. These dimers are further linked by inter-molecular O-H⋯N hydrogen bonds. C-H⋯O inter-actions also occur between the 1,10-phenanthroline (phen) and 4,5-dicarb-oxy-naphthalene-1,8-dicarb-oxy-lic anhydride (H(2)NTC) mol-ecules. In addition, the crystal structure exhibits π-π inter-actions of the phen⋯phen and H(2)NTC⋯H(2)NTC types with centroid-centroid distances of 3.579 (3) and 3.774 (3) Å, respectively.

| S-EPMC3051702 | biostudies-literature

catena-Poly[[diaqua-manganese(II)]-?-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato].

Project description:In the title polymer, [Mn(C(8)H(8)O(5))(H(2)O)(2)](n), the Mn(II) atom is in a distorted octa-hedral coordination mode, binding to the bridging O atom of the bicyclo-heptane unit, two O atoms from corresponding carboxyl-ate groups, one carboxyl-ate O atom from a symmetry-related bridging ligand and two water O atoms. This arrangement leads to the formation of polymeric chains propagating parallel to [001]. The crystal structure is stabilized by several O-H?O hydrogen-bonding inter-actions involving the coordinated water mol-ecules as donors and the carboxyl-ate O atoms as acceptors.

| S-EPMC2979419 | biostudies-literature

Poly[[(2,2'-bipyridine)(?(3)-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmium] monohydrate].

Project description:The title compound, {[Cd(C(8)H(8)O(5))(C(10)H(8)N(2))]·H(2)O}(n), was obtained by the reaction of cadmium acetate with 2,2'-bi-pyridine and 7-oxabicyclo-(2.2.1)heptane-2,3-dicarb-oxy-lic anhydride. The Cd(II) atom is seven-coordinated in a distorted penta-gonal-bipyramidal configuration, defined by five O atoms from the carboxyl-ate groups of three 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato ligands and two N atoms from the 2,2'-bipyridine ligand. Two O atoms link two Cd(II) atoms, forming a dinuclear center: the Cd-O-Cd bridging angle is 110.19?(6)°. The polymeric structure extends along [100] and is linked by inter-molecular O-H?O hydrogen bonds involving the solvent water molecule. Extensive ?-? stacking exists between 2,2-bypiridine ligands along [010] with centroid-centroid distance of 3.650?(2)?Å

| S-EPMC3201414 | biostudies-literature

catena-Poly[[diaqua-nickel(II)]-μ-7-oxabicyclo-[2.2.1]heptane-2,3-di-carboxyl-ato].

Project description:In the crystal structure of the title compound, [Ni(C(8)H(8)O(5))(H(2)O)(2)](n), the Ni(II) cation is in a Jahn-Teller-distorted octahedral coordination environment binding to two O atoms from water molecules, the bridging O atom of the bicycloheptane unit, two carboxylate O atoms from different carboxylate groups and one carboxylate O atom from a symmetry-related bridging ligand. The crystal structure is made up from layers propagating parallel to the bc plane.

| S-EPMC2969288 | biostudies-literature

Triaqua-(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato-?O,O,O)cobalt(II) monohydrate.

Project description:The title complex, [Co(C(8)H(8)O(5))(H(2)O)(3)]·H(2)O, was synthesized by reaction of cobalt acetate with 7-oxabicyclo-[2.2.1]heptane-2,3-dicarb-oxy-lic anhydride (norcantharidin) in aqueous solution. In the mol-ecule, the Co(II) atom is six-coordinated in a distorted octa-hedral environment, binding to the bridging O atom of the bicyclo-heptane unit, to two O atoms from monodentate carboxyl-ate groups and to three water O atoms. The crystal structure is stabilized by several O-H?O hydrogen-bonding inter-actions involving both the coordinated and uncoordinated water mol-ecules as donors and the carboxyl-ate O atoms of neighbouring mol-ecules as acceptors.

| S-EPMC3212185 | biostudies-literature

Poly[bis-(1H-imidazole)(μ(3)-7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmium(II)].

Project description:The title compound, [Cd(C(8)H(8)O(5))(C(3)H(4)N(2))(2)](n), was synthesized by the reaction of 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic anhydride, cadmium acetate and imidazole. The Cd(II) atom is seven-coordinated in a distorted penta-gonal-bipyramidal configuration by five O atoms from carboxyl-ate groups of three 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylate ligands and two N atoms from two imidazole ligands. The crystal structure is stabilized by N-H⋯O and C-H⋯O hydrogen-bonding and C-H⋯π inter-actions.

| S-EPMC2969310 | biostudies-literature