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Crystal structure of 4-methyl-2,6,7-trioxa-1-phosphabi-cyclo-[2.2.2]octa-ne.

ABSTRACT: The title mol-ecule, C5H9O3P, has a bi-cyclo-[2.2.2] structure with the P atom at the prow and the bridge-head C atom, with the bonded methyl group, at the stern. The three six-membered rings in the bi-cyclo-[2.2.2] structure have essentially identical good boat conformations.

SUBMITTER: Said MA

PROVIDER: S-EPMC4992930 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Di-μ-iodido-bis-[acet-yl(4-methyl-2,6,7-trioxa-1-phosphabicyclo-[2.2.2]octa-ne)(N-nitroso-N-oxidoaniline-κO,O')rhodium(III)].

Project description:The title compound, [Rh(2)(C(6)H(5)N(2)O(2))(2)(C(2)H(3)O)(2)I(2)(C(5)H(9)O(3)P)(2)], contains a binuclear centrosymmetric Rh(III) dimer bridged by iodide anions, with respective Rh⋯Rh and I⋯I distances of 4.1437 (5) and 3.9144 (5) Å. The Rh(III) atom is in a distorted octa-hedral RhCI(2)O(2)P coordination with considerably different Rh-I distances to the bridging iodide anions. There are no classical hydrogen-bonding inter-actions observed for this complex.

| S-EPMC2971923 | biostudies-literature

Crystal structure of the new hybrid material bis-(1,4-diazo-niabi-cyclo-[2.2.2]octa-ne) di-?-chlorido-bis-[tetra-chlorido-bis-muthate(III)] dihydrate.

Project description:The title compound bis-(1,4-diazo-niabi-cyclo-[2.2.2]octa-ne) di-?-chlorido-bis-[tetra-chlorido-bis-muthate(III)] dihydrate, (C6H14N2)2[Bi2Cl10]·2H2O, was ob-tain-ed by slow evaporation at room temperature of a hydro-chloric aqueous solution (pH = 1) containing bis-muth(III) nitrate and 1,4-di-aza-bicyclo-[2.2.2]octane (DABCO) in a 1:2 molar ratio. The structure displays a two-dimensional arrangement parallel to (100) of isolated [Bi2Cl10](4-) bi-octa-hedra (site symmetry -1) separated by layers of organic 1,4-diazo-niabi-cyclo-[2.2.2]octane dications [(DABCOH2)(2+)] and water mol-ecules. O-H?Cl, N-H?O and N-H?Cl hydrogen bonds lead to additional cohesion of the structure.

| S-EPMC4645089 | biostudies-other

Bis(1,4-diazo-niabi-cyclo-[2.2.2]octa-ne) di-?-chlorido-bis-[tetra-chlorido-anti-monate(III)] dihydrate.

Project description:The title salt, (C6H14N2)2[Sb2Cl10]·2H2O, was obtained by slow evaporation of an acidic solution of 1,4-di-aza-bicyclo-[2.2.2]octane and SbCl3. The crystal structure consists of (C6H14N2)(2+) cations, [Sb2Cl10](4-) double octa-hedra and lattice water mol-ecules. All mol-ecular components are situated on special positions. The cation and the lattice water mol-ecule exhibit mirror symmetry, whereas the anion has site symmetry 2/m. The cations, anions and water mol-ecules are alternately arranged into columns along [010]. Individual columns are joined into layers extending along (001). Intra-layer N-H?O and inter-layer N-H?Cl hydrogen-bonding inter-actions lead to the formation of a three-dimensional network.

| S-EPMC3684890 | biostudies-other

(1-Oxo-2,6,7-trioxa-1-phosphabicyclo-[2.2.2]octan-4-yl)methyl 4-methyl-benzene-sulfonate.

Project description:In the title compound, C(12)H(15)O(7)PS, the P atom has a distorted tetra-hedral environment. The P-O-C-C torsion angles deviate significantly from zero [average = 12.0?(3)°], indicating that the bicyclic OP(OCH(2))(3)C cage is strained. In the crystal, weak C-H?O inter-actions consolidate the packing.

| S-EPMC3344584 | biostudies-literature

(1S*,3R*,5S*,7S*)-4,4,8,8-Tetra-chloro-1-isopropyl-5-methyl-tri-cyclo-[5.1.0.0(3,5)]octa-ne.

Project description:The title compound, C12H16Cl4, is a derivative of the natural product 1-isopropyl-4-methyl-cyclo-hexa-1,4-diene, and represents a diastereomer with two trans-fused cyclo-propane rings. Both enanti-omers are present in the non-centrosymmetric polar space group Pna21. The central cyclo-hexane ring is planar within 0.02?(1)?Å. The C atoms of di-chloro-methyl-ene groups deviate from this plane by 1.19?(1) and -1.26?(1)?Å, whereas the isopropyl and methyl groups are oriented more equatorially, deviating by 0.71?(1) and -0.87?(1)?Å, respectively.

| S-EPMC3998570 | biostudies-literature

1,4-Diaza-bicyclo-[2.2.2]octa-ne-trans,trans-hexa-2,4-dienedioic acid (1/1).

Project description:The title 1:1 co-crystal, C(6)H(12)N(2)·C(6)H(6)O(4), the dicarb-oxy-lic acid mol-ecule is close to planar [r.m.s. deviation from the mean plane = 0.07?(1)?Å]. In the crystal, the two mol-ecules are arranged alternately and are linked by O-H?N hydrogen bonds, leading to the formation of a chain along the [20-1] direction. The chains are assembled into a two-dimensional framework parallel to the (102) plane through weak C-H?O hydrogen bonds between the two types of mol-ecules.

| S-EPMC3414279 | biostudies-literature

Crystal structure of chlorido-bis-[(1,2,5,6-?)-cyclo-octa-1,5-diene]iridium(I).

Project description:The title complex, [IrCl(C8H12)2], was synthesized directly from the reaction of IrCl3·3H2O with a large excess of cod (cod = cyclo-octa-1,5-diene) in alcoholic solvent. Large yellow needles were obtained by the slow cooling of a hot solution. Based on the positions of the chloride ligand and the mid-points of the four C=C bonds, the mol-ecule adopts a five-coordinate geometry that is midway between square pyramidal and trigonal bipyramidal. The material crystallizes in the ortho-rhom-bic space group Pbca with one mol-ecule per asymmetric unit in a general position and shows no significant inter-molecular inter-actions. Individual mol-ecules are aligned along [010], and these rows form a pseudo-hexa-gonal packing arrangement.

| S-EPMC5290581 | biostudies-literature

Crystal structure of (?4-cyclo-octa-diene)(3,3'-dimesityl-1,1'-methyl-enediimidazoline-2,2'-diyl-idene)nickel(0) tetra-hydro-furan monosolvate.

Project description:The crystal structure of the title compound, [Ni(C25H28N4)(C8H12)]·C4H8O or (MesNHC2Me)Ni(COD), which contains a bidentate N-heterocyclic carbene (NHC) ligand with mesityl aryl groups is reported. The complex at 100?K has monoclinic (P21/c) symmetry and a distorted tetra-hedral geometry around the nickel center, with the cyclo-octa-diene ligand coordinated in a ?2,?2 fashion. The bidentate NHC ligand is not planar, with a C(carbene)-Ni-C(carbene) angle of 91.51?(12)°, resulting in the mesityl groups being on the same side of the cyclo-octa-diene (COD) ligand. One mol-ecule of tetra-hydro-furan (THF) is co-crystallized with the nickel complex and has positional disorder.

| S-EPMC6176447 | biostudies-literature

4-Aza-1-azoniabicyclo-[2.2.2]octa-ne-2-amino-benzoate-2-amino-benzoic acid (1/1/1).

Project description:A 4-aza-1-azoniabicyclo-[2.2.2]octane cation, a 2-amino-benzoate anion and a neutral 2-amino-benzoic acid mol-ecule comprise the asymmetric unit of the title compound, C(6)H(13)N(2) (+)·C(7)H(6)NO(2) (-)·C(7)H(7)NO(2). An intra-molecular N-H?O hydrogen bond occurs in the anion and in the neutral 2-amino-benzoic acid mol-ecule. The cation provides a charge-assisted N-H?O hydrogen bond to the anion, and the 2-amino-benzoic acid mol-ecule forms an O-H?N hydrogen bond to the unprotonated amino N atom in the cation. In this way, a three-component aggregate is formed. These are connected into a three-dimensional network by amino-carboxyl-ate N-H?O hydrogen bonds. N-H?N hydrogen bonds are also observed.

| S-EPMC3247346 | biostudies-literature

Crystal structure of (1S,3R,8R,9S,10R)-10-bromo-methyl-2,2-di-chloro-9,10-ep-oxy-3,7,7-tri-methyl-tri-cyclo-[6.4.0.0(1,3)]dodeca-ne.

Project description:The title compound, C16H23BrCl2O, was synthesized in 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 two fused six- and seven-membered rings, each linked to a three-membered ring. The six-membered ring has a screw-boat conformation, whereas the seven-membered ring displays a twist-boat conformation. The absolute structure was established unambiguously from anomalous dispersion effects.

| S-EPMC4420093 | biostudies-literature

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