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(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.

ABSTRACT: 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.

SUBMITTER: Riddell N

PROVIDER: S-EPMC2961815 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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(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.

Riddell Nicole N McCrindle Robert R Arsenault Gilles G Lough Alan J AJ

Acta crystallographica. Section E, Structure reports online 20080613 Pt 7

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. ...[more]

PMID: 21202884

Similar Datasets

(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

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.

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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)°.

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(+)-{1,2-Bis[(2R,5R)-2,5-dimethyl-phospho-lan-1-yl]ethane-?P,P'}(?-cyclo-octa-1,5-diene)rhodium(I) tetra-fluorido-borate.

Project description:The title compound, [Rh(C(8)H(12))(C(14)H(28)P(2))]BF(4), exhibits a rhodium(I) complex cation with a bidentate bis-phosphine ligand and a bidentate ?(2),?(2)-coordinated cyclo-octa-1,5-diene. Together the ligands create a slightly distorted square-planar cordination environment for the Rh(I) atom. There are three mol-ecules in the asymmetric unit and intra-molecular P-Rh-P bite angles of 82.78?(5), 82.97?(6) and 83.09?(5)° are observed. The dihedral angles between the P-Rh-P and the X-Rh-X planes (X is the centroid of a double bond) are 14.7?(1), 14.8?(1) and 15.3?(1)°. The structure exhibits disorder of one cyclo-octa-diene ligand as well as one BF(4) anion.

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(+)-{1,2-Bis[(2R,5R)-2,5-diethyl-phospho-lan-1-yl]ethane-κP,P'}(η-cyclo-octa-1,5-diene)rhodium(I) tetra-fluoridoborate.

Project description:The title compound, [Rh(C(8)H(12))(C(18)H(36)P(2))]BF(4), exhibits a rhodium(I) complex cation with a bidentate bis-phosphine ligand and a bidentate η(2),η(2)-coordinated cyclo-octa-1,5-diene ligand. The ligands form a slightly distorted square-planar coordination environment for the Rh(I) atom. An intra-molecular P-Rh-P bite angle of 83.91 (2)° is observed. The dihedral angle between the P-Rh-P and the X-Rh-X planes (X is the centroid of a double bond) is 14.0 (1)°. The BF(4) anion is disordered over two positions in a 0.515 (7):0.485 (7) ratio.

| S-EPMC3008980 | biostudies-literature

Penta-cyclo-[8.2.1.1(4,7).0(2,9).0(3,8)]tetra-deca-5,11-diene.

Project description:The title compound, C(14)H(16), was prepared through [2 + 2] cyclo-addition of norbornadiene. There are two independent mol-ecules in the asymmetric unit: each is centrosymmetric with the centroid of the four-membered ring located about an inversion center. Each mol-ecule possesses an exo-trans-exo conformation.

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(?-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 (?Pt(?)= 359.71°).

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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

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

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

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