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(1S,3S,8R,9S,11R)-10,10-Di-bromo-3,7,7,11-tetra-methyl-tetra-cyclo-[6.5.0.0(1,3).0(9,11)]trideca-ne.

ABSTRACT: The title compound, C17H26Br2, was synthesized from ?-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the 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 fused six- and seven-membered rings and two appended three-membered rings. In both mol-ecules, the six-membered ring has a screw boat conformation, whereas the seven-membered ring displays a boat conformation. No specific inter-molecular inter-actions were discerned in the crystal packing.

SUBMITTER: Benharref A

PROVIDER: S-EPMC3793758 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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(1S,3S,8R,9S,11R)-10,10-Di-bromo-3,7,7,11-tetra-methyl-tetra-cyclo-[6.5.0.0(1,3).0(9,11)]trideca-ne.

Benharref Ahmed A El Karroumi Jamal J El Ammari Lahcen L Saadi Mohamed M Berraho Moha M

Acta crystallographica. Section E, Structure reports online 20130713 Pt 8

The title compound, C17H26Br2, was synthesized from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the 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 fused six- and seven-membered rings and two appended three-membered rings. In both mol-ecules, the six-membered ring has a screw boat conformation, whereas the seven- ...[more]

PMID: 24109345

Similar Datasets

(1S,3S,8R,9S,11R)-10,10-Di-chloro-3,7,7,11-tetra-methyl-tetra-cyclo[6.5.0.0(1,3).0(9,11)]trideca-ne.

Project description:The title compound, C17H26Cl2, was synthesized from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the 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 fused six- and seven-membered rings and two three-membered rings from the reaction of β-himachalene with di-chloro-carbene. In both mol-ecules, the six-membered ring has a half-chair conformation, whereas the seven-membered ring displays a boat conformation. The absolute configuration was established from anomalous dispersion effects.

| S-EPMC3685081 | biostudies-literature

(1S,3R,8R,9S,11R)-2,2-Di-bromo-10,10-di-chloro-3,7,7,11-tetra-methyl-tetra-cyclo-[6.5.0.0(1,3).0(9,11)]trideca-ne.

Project description:The title compound, C17H24Br2Cl2, was synthesized from ?-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica). The mol-ecule contains fused six-, seven- and two three-membered rings. The six-membered ring has a half-chair conformation, while the seven-membered ring displays a boat conformation. The absolute structure was unambiguously established from anomalous dispersion effects. The crystal packing exhibits no short inter-molecular contacts.

| S-EPMC3648256 | biostudies-literature

(1S,3R,8R,9S,11R)-10,10-Di-bromo-2,2-di-chloro-3,7,7,11-tetra-methyl-tetra-cyclo-[6.5.0.0(1,3).0(9,11)]trideca-ne.

Project description:The title compound, C17H24Br2Cl2, was synthesized from ?-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica). The asymmetric unit contains two independent mol-ecules. Each mol-ecule is built up from fused six-, seven- and two three-membered rings. In both mol-ecules, the six-membered ring has a half-chair conformation, whereas the seven-membered ring displays a boat conformation. No specific inter-molecular inter-actions are noted in the crystal packing.

| S-EPMC3648270 | biostudies-literature

(1S,3R,8R,9S,11R)-2,2,10,10-Tetra-chloro-3,7,7,11-tetra-methyl-tetra-cyclo-[6.5.0.0(1,3).0(9,11)]trideca-ne.

Project description:The title compound, C(17)H(24)Cl(4), was synthesized from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzocyclo-heptene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica). The mol-ecule is built up from fused six- and seven-membered rings and two three-membered rings from the reaction of β-himachalene with dichloro-carbene. The six-membered ring shows a chair conformation, whereas the seven-membered ring displays a boat conformation.

| S-EPMC3569802 | biostudies-literature

2,2-Dichloro-3,7,7,11-tetra-methyl-10-aza-tetra-cyclo-[6.5.0.0(1,3).0(9,11)]trideca-ne.

Project description:The title compound, C16H25Cl2N, was synthesized from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzocyclo-heptene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica). The mol-ecule is built up from fused six- and seven-membered rings linked to two three-membered rings. The six-membered ring shows a half-chair conformation, whereas the seven-membered ring displays a boat conformation. The dihedral angle between the mean planes through the six- and seven-membered rings is 59.8 (2)°. The two three-membered rings lie to one side and each is nearly perpendicular to the six-membered ring, forming dihedral angles of 83.2 (2) and 86.0 (2)°. The absolute structure was established unambiguously from anomalous dispersion effects. No specific inter-molecular inter-actions are noted in the crystal structure.

| S-EPMC3629633 | biostudies-literature

(1S,3S,8R,10R,11R)-3,7,7,10-Tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodecan-11-ol.

Project description:The title compound, C16H28O, was synthesized by three steps from β-himachalene (3,5,5,9-tetra-methyl-2,4a,5,6,7,8-hexa-hydro-1H-benzo-cyclo-heptene), which was isolated from the essential oil of the Atlas cedar (Cedrus atlantica). The mol-ecule is built up from fused six- and seven-membered rings and an appended three-membered ring. The six-membered ring has twist-boat conformation, whereas the seven-membered ring displays a chair conformation. In the crystal, mol-ecules are linked into chains propagating along the a-axis direction by O-H⋯O hydrogen bonds.

| S-EPMC3793829 | biostudies-literature

Diaqua-[(1R,2S,4R,8R,9S,11R)-2,9-di-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane]nickel(II) dichloride dihydrate.

Project description:The crystal structure of the title complex, [Ni(C(12)H(28)N(4))(H(2)O)(2)]Cl(2)·2H(2)O, displays O-H?Cl and O-H?O hydrogen bonding. The tetra-aza-cyclo-tetra-decane ligand inter-acts with the Ni(II) atom in the cis V configuration and the final two ligand binding sites are occupied by water.

| S-EPMC3414157 | biostudies-literature

(1S,3S,8R,9S,10R)-9,10-Ep-oxy-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodeca-ne.

Project description:The title compound, C16H26O, was synthesized by treating (1S,3S,8R)-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodec-9-ene with meta-chloro-perbenzoic acid. The mol-ecule is built up from two fused six- and seven-membered rings. The six-membered ring has a half-chair conformation, whereas the seven-membered ring displays a boat conformation. In the crystal, there are no significant intermolecular interactions present.

| S-EPMC3998592 | biostudies-literature

Absolute configuration of (1R,3S,8R,11R)-3,7,7,10-tetra-methyl-tri-cyclo-[6.4.0.0(1,3)]dodec-9-en-11-ol.

Project description:The absolute configuration of the title compound, C16H26O, was determined as (1R,3S,8R,11R) based mainly on the synthetic pathway but is also implied by the X-ray analysis. The mol-ecule contains fused six- and seven-membered rings. Part of the seven-membered ring was refined as disordered over two sets of sites with the occupancy ratio fixed at 0.86:0.14. The disorder corresponds to a major chair conformation and a minor boat conforation. In the crysyal, O-H⋯O hydrogen bonds connect the mol-ecules into chains parallel to the a axis.

| S-EPMC3793796 | biostudies-literature

Crystal structure of (1R,3S,8R,11R)-11-acetyl-3,7,7-trimethyl-10-oxatri-cyclo-[6.4.0.0(1,3)]dodecan-9-one.

Project description:The title compound, C16H24O3, is built up from three fused rings, a six-membered, a seven-membered and a three-membered ring. The absolute configuration of the title compound was determined as (1R,3S,8R,11R) based on the synthetic pathway. The six-membered ring has an half-chair conformation whereas the seven-membered ring displays a boat conformation. In the cyrstal, C-H⋯O hydrogen bonds build up a two-dimensional network parallel to (0 0 1). The crystal studied was an inversion twin with a minor twin component of 34%.

| S-EPMC4719952 | biostudies-literature

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