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2,6,7-Trioxa-1-phosphabicyclo-[2.2.2]octan-4-ylmethanol 1-sulfide.

ABSTRACT: The title compound, C(5)H(9)O(4)PS, was synthesized by the reaction of penta-erythritol with thio-phosphoryl chloride. In the crystal structure, the three six-membered rings all adopt boat conformations. Mol-ecules form chains along the c axis via inter-molecular O-H?O hydrogen bonds.

SUBMITTER: Yang Q

PROVIDER: S-EPMC2968057 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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2,6,7-Trioxa-1-phosphabicyclo-[2.2.2]octan-4-ylmethanol 1-sulfide.

Yang Qi Q Zhang Ye-Qin YQ Huang Jian-Qian JQ Men Jian J Gao Guo-Wei GW

Acta crystallographica. Section E, Structure reports online 20081217 Pt 1

The title compound, C(5)H(9)O(4)PS, was synthesized by the reaction of penta-erythritol with thio-phosphoryl chloride. In the crystal structure, the three six-membered rings all adopt boat conformations. Mol-ecules form chains along the c axis via inter-molecular O-H⋯O hydrogen bonds. ...[more]

PMID: 21581600

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(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

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

Project description: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.

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Crystal structure of bis-(1,4-di-aza-bicyclo-[2.2.2]octan-1-ium) thio-sulfate dihydrate.

Project description:The crystal structure of the hydrated title salt, 2C6H13N2 (+)·S2O3 (2-)·2H2O, contains a centrosymmetric cyclic motif of eight hydrogen-bonded mol-ecular subunits. Two DABCOH(+) cations (DABCO = 1,4-di-aza-bicyclo-[2.2.2]octa-ne) are linked to two water mol-ecules and two thio-sulfate anions via O-H⋯N and O-H⋯O hydrogen bonds, respectively. Two other water mol-ecules close the cyclic motif through O-H⋯O contacts to the first two water mol-ecules and to the two thio-sulfate anions. A second pair of DABCOH(+) cations is N-H⋯O hydrogen bonded to the two anions and is pendant to the ring. Adjacent cyclic motifs are bridged into a block-like arrangement extending along [100] through O-H⋯O inter-actions involving the second pair of water mol-ecules and neighbouring thio-sulfate anions.

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(1S,4S,5S,6R)-6-(4-Bromo-phen-yl)-5-nitro-bicyclo-[2.2.2]octan-2-one.

Project description:The title compound, C(14)H(14)BrNO(3), contains a bicyclic ring system with four chiral centers. The absolute structure was established by the Flack method.

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(5-Ethenyl-1-aza-bicyclo-[2.2.2]octan-2-yl)(6-meth-oxy-3-quinol-yl)methanol methanol solvate.

Project description:In the title methanol solvate, C(20)H(24)N(2)O(2)·CH(4)O, an L-shaped conformation is found as the two substituents at the central hydr-oxy group are almost orthogonal to each other [the C-C-C angle at the central sp(3)-C atom is 110.12?(13)°]. The most notable feature of the crystal packing is the formation of supra-molecular chains along the b direction mediated by O-H?N hydrogen bonds occurring between the hydr-oxy and quinoline N atoms; the methanol mol-ecules are linked to these chains via O-H?N(amine) hydrogen bonds. C-H?O inter-actions also occur.

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(R)-Methyl {[(2-carb-oxy-bicyclo-[2.2.2]octan-1-yl)-ammonio]-methyl}-phos-phon-ate dichloro-methane 0.25-solvate.

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2-Amino-4,6-dimethyl-pyrimidin-1-ium 1-oxo-2,6,7-trioxa-1?-phosphabicyclo-[2.2.2]octane-4-carboxyl-ate.

Project description:In the title compound, C(6)H(10)N(3) (+)·C(5)H(6)O(6)P(-), the cation and anion are linked by pairs of N-H?O hydrogen bonds. There are additional inter-molecular N-H?N hydrogen bonds, which generate centrosymmetric tetramers of two cations and two anions.

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2-[3-(Trifluoro-meth-yl)phen-oxy]ethyl 1-oxo-2,6,7-trioxa-1?-phosphabicyclo-[2.2.2]octane-4-carboxyl-ate.

Project description:In the crystal structure of the title compound, C(14)H(14)F(3)O(7)P, the central chain, which connects the phosphate bicyclic system and the benzene ring, is made up of an approximately planar C-C(O)-O-C(H(2)) fragment and a C(H(2))-O-C(Ph) link; the mean planes make a dihedral angle of 75.9?(2)°. The F atoms are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.

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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 structures of 1,4-di-aza-bicyclo-[2.2.2]octan-1-ium 4-nitro-benzoate dihydrate and 1,4-di-aza-bicyclo-[2.2.2]octane-1,4-diium bis-(4-nitro-benzoate): the influence of solvent upon the stoichiometry of the formed salt.

Project description:The 1:1 co-crystallization of 1,4-di-aza-bicyclo-[2.2.2]octane (DABCO) with 4-nitro-benzoic acid in ethanol-water (3/1) gave the salt dihydrate C6H13N2 (+)·C7H4NO4 (-)·2H2O, (1), whereas from methanol, the salt C6H14N2 (2+)·2C7H4NO4 (-), (2), was isolated. In (1), the cation and anion are linked by a strong N-H?O hydrogen bond, and the carboxyl-ate anion is close to planar [dihedral angle between terminal residues = 6.83?(9)°]. In (2), a three-ion aggregate is assembled by two N-H?O hydrogen bonds, and the carboxyl-ate anions are again close to planar [dihedral angles between terminal residues = 1.7?(3) and 5.9?(3)°]. Through the inter-vention of solvent water mol-ecules, which self-assemble into helical supra-molecular chains along the b axis, the three-dimensional architecture in (1) is stabilized by water-DABCO O-H?N and water-carboxyl-ate O-H?O hydrogen bonds, with additional stability afforded by C-H?O inter-actions. The global crystal structure comprises alternating layers of water mol-ecules and ion pairs stacked along the c axis. In the crystal of (2), the three-ion aggregates are assembled into a three-dimensional architecture by a large number of methyl-ene-carboxyl-ate/nitro C-H?O inter-actions as well as ?-? contacts between inversion-related benzene rings [inter-centroid distances = 3.5644?(16) and 3.6527?(16)?Å]. The cations and anions assemble into alternating layers along the c axis.

| S-EPMC4120614 | biostudies-literature

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