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Anti-1',6',7',8',9',14',15',16'-Octa-chloro-dispiro-[1,3-dioxolane-2,17'-penta-cyclo-[12.2.1.1.0.0]octa-decane-18',2''-1,3-dioxolane]-7',15'-diene.

ABSTRACT: The title compound, C(22)H(20)Cl(8)O(4), was prepared as part of the synthesis of precursors for the preparation of fluorinated mol-ecular tweezers. The mol-ecule sits on an inversion center, thus requiring that the cyclo-octane ring adopt a chair conformation.

SUBMITTER: Tenbusch ME

PROVIDER: S-EPMC3007477 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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anti-1',6',7',8',9',14',15',16'-Octa-chloro-dispiro-[1,3-dioxolane-2,17'-penta-cyclo-[12.2.1.1.0.0]octa-decane-18',2''-1,3-dioxolane]-7',15'-diene.

Tenbusch Megan E ME Brooker Matthew D MD Timmerman Jacob C JC Jones Daniel S DS Etzkorn Markus M

Acta crystallographica. Section E, Structure reports online 20100703 Pt 8

The title compound, C(22)H(20)Cl(8)O(4), was prepared as part of the synthesis of precursors for the preparation of fluorinated mol-ecular tweezers. The mol-ecule sits on an inversion center, thus requiring that the cyclo-octane ring adopt a chair conformation. ...[more]

PMID: 21588218

Similar Datasets

syn-Dispiro-[1,3-dioxolane-2,17'-penta-cyclo-[12.2.1.1.0.0]octa-decane-18',2''-[1,3]dioxolane]-7',15'-diene.

Project description:The title compound, C(22)H(28)O(4), is composed of a central octa-decane ring and two spiro-[bicyclo-[2.2.1]hept[2]ene-7,2'-[1,3]dioxolane] units. This polycycle has pseudo twofold symmetry and the central cyclo-octane ring has a distorted boat configuration.

| S-EPMC3009060 | biostudies-literature

Dibenzo[a,e]penta-cyclo-[12.2.1.1.0.0]octa-deca-2(13),5(10)-diene.

Project description:In the title compound, C(26)H(24), the central cyclo-octa-tetra-ene ring has a boat conformation, and the mol-ecule is saddle shaped. The seat is defined by the mean plane of the four-atom attachment points (r.m.s. deviation = 0.014 Å) of the two bicyclo-heptane substituents. These substituents comprise the pommel and cantle, with each mean plane defined by four atoms proximate to the seat (r.m.s. deviations = 0.001 and 0.000 Å). Relative to the seat, the pommel and cantle bend up 33.36 (5) and 34.22 (4)°, while the benzo units (flaps, r.m.s. deviations = 0.008 and 0.013 Å) bend down 33.48 (4) and 36.58 (4)°.

| S-EPMC3238874 | biostudies-literature

(1R,2R,5R,6R,9S,10S,13S,14S)-1,6,7,8,9,14,15,16,17,17-Decachloro-penta-cyclo-[12.2.1.1.0.0]octa-deca-7,15-diene.

Project description:The title compound, C(18)H(14)Cl(10), is a decachlorinated commercial flame retardant. The structure determination confirms the relative stereochemistry. The central eight-membered ring is in a chair-type conformation. In the crystal structure, there are no significant inter-molecular inter-actions and mol-ecules are separated by normal van der Waals distances.

| S-EPMC2961698 | biostudies-literature

1',3',4',5',7',8'-Hexafluoro-1,1'',2,2'',3,3'',4,4''-octa-phenyl-2',6'-dihydro-dispiro-[cyclo-penta-1,3-diene-5,2'-naphthalene-6',5''-cyclo-penta-1'',3''-diene] dichloro-methane monosolvate.

Project description:The mol-ecule of the title compound, C(66)H(40)F(6)·CH(2)Cl(2), is centrosymmetric; the dihedral angle between the central fluorinated unit and the cyclo-penta-diene ring is 88.36?(7)°. The dihedral angles between the cyclo-penta-diene ring and the four surrounding phenyl rings are in the range 26.6?(1)-65.6?(1)°. Centrosymmetric cavities in the crystal structure are populated by disordered dichloro-methane solvent mol-ecules.

| S-EPMC3213637 | biostudies-literature

(1R,2R,5R,6S,9R,10S,13S,14S,18R)-1,6,7,8,9,14,15,16,17,17,18-Undeca-chloro-penta-cyclo-[12.2.1.1.0.0]octa-deca-7,15-diene.

Project description:The title compound, C(18)H(13)Cl(11), is an undecachlorinated commercial flame retardant. The asymmetric unit contains two independent half-mol-ecules. The complete mol-ecules are generated by crystallographic inversion symmetry, causing the terminal H atoms and one of the Cl atoms to be disordered equally over two sites in each mol-ecule. The central eight-membered rings are in chair-type conformations. In the crystal structure, there is a single weak inter-molecular C-H⋯Cl hydrogen bond.

| S-EPMC2961815 | biostudies-literature

Penta-cyclo-[9.3.1.1(2,6).1(4,8).1(9,13)]octa-deca-1(2),8(9)-diene.

Project description:The title compound, C(18)H(24), was the main product of thermolysis of noradamantene dimer (hepta-cyclo-[9.3.1.1(2,6).1(4,8).1(9,13).0(1,9).0(2,8)]octa-deca-ne). The crystal structure was determined to prove that the thermolysis product of noradamantene dimer is favored by stretch release due to ring opening of the four-membered ring. The bond length of the quaternary C atoms of the starting material was calculated as 1.6 Å, enlarged in comparison to other single bonds. After the rearrangement, the stretch release of the above carbons leads to an increase of the distance between them (2.824 Å) with respect to the crystallographic data.

| S-EPMC3393958 | biostudies-literature

N,N,2,4,6-Penta-methyl-anilinium hexa-fluoro-phosphate-1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane (2/1).

Project description:In the title compound, 2C11H18N(+)·2PF6 (-)·C12H24O6, the 18-crown-6 mol-ecule has crystallographically imposed inversion symmetry. In the crystal, it inter-acts with the cation through weak C-H⋯O hydrogen bonds. The cations and anions are further linked via N-H⋯F and C-H⋯F hydrogen bonds, leading to a sandwich structure .

| S-EPMC3914100 | biostudies-literature

(η-Cyclo-octa-1,5-diene)diiodidoplatinum(II).

Project description:The monoclinic title complex, [PtI(2)(C(8)H(12))], characterized by a twisted cyclo-octa-diene ring, is similar to its Cl and Br ortho-rhom-bic homologues. The observed Pt-I bond distances of 2.6094 (5) and 2.6130 (5) Å are in the expected range for PtI(2) complexes. The C=C double bonds in the mol-ecule differ significantly [1.373 (10) and 1.403 (10) Å]. As expected for a platinum(II) complex, the Pt(II) atom is in a square-planar environment (ΣPt(α)= 359.71°).

| S-EPMC2970000 | biostudies-literature

Chlorido(?-1,5-cyclo-octa-diene)[(penta-fluoro-eth-yl)diphenyl-phosphane]iridium(I).

Project description:The title structure,[IrCl(C(8)H(12))(C(14)H(10)F(5)P)], reveals that (C(2)F(5))PPh(2) (penta-fluoro-ethyl-diphenyl-phosphane or pfepp) disrupts the iridium dimer [(cod)IrCl](2) (cod = cyclo-octa-1,5-diene) by rupturing the bridging chloride ligands and binding in the open coordination site to form (cod)Ir(pfepp)Cl with the Ir(I) atom in a distorted square-planar coordination environment. The structure deviates very little from the Ir(I)-triphenyl-phosphine analog, although a significantly (?20?) shorter Ir-P bond is noted for the title compound.

| S-EPMC3050217 | biostudies-other

Crystal structures of (?4-cyclo-octa-1,5-diene)bis(1,3-di-methyl-imidazol-2-yl-idene)iridium(I) iodide and (?4-cyclo-octa-1,5-diene)bis-(1,3-di-ethyl-imidazol-2-yl-idene)iridium(I) iodide.

Project description:The title complexes, (?4-cyclo-octa-1,5-diene)bis-(1,3-di-methyl-imidazol-2-yl-idene)iridium(I) iodide, [Ir(C5H8N2)2(C8H12)]I, (1) and (?4-cyclo-octa-1,5-di-ene)bis-(1,3-di-ethyl-imidazol-2-yl-idene)iridium(I) iodide, [Ir(C7H12N2)2(C8H12)]I, (2), were prepared using a modified literature method. After carrying out the oxidative addition of the amino acid l-proline to [Ir(COD)(IMe)2]I in water and slowly cooling the reaction to room temperature, a suitable crystal of 1 was obtained and analyzed by single-crystal X-ray diffraction at 100?K. Although this crystal structure has previously been reported in the Pbam space group, it was highly disordered and precise atomic coordinates were not calculated. A single crystal of 2 was also obtained by heating the complex in water and letting it slowly cool to room temperature. Complex 1 was found to crystallize in the monoclinic space group C2/m, while 2 crystallizes in the ortho-rhom-bic space group Pccn, both with Z = 4.

| S-EPMC7199247 | biostudies-literature

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