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1,4-Diazo-niabicyclo-[2.2.2]octane bis-(2,4,6-trinitro-phenolate).

ABSTRACT: In the title compound, C(6)H(14)N(2) (2+)·2C(6)H(2)N(3)O(7) (-), the cation possesses crystallographically imposed twofold rotation symmetry. In the crystal structure, the cation and anions are linked into a trimeric aggregate by inter-molecular N-H⋯O hydrogen bonds. The trimeric units are further connected by π-π inter-actions [centroid-centroid distances = 3.507 (2)-3.660 (3) Å], forming layers parallel to the bc plane.

SUBMITTER: Sima W

PROVIDER: S-EPMC3006919 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,4-Diazo-niabicyclo-[2.2.2]octane bis-(2-chloro-benzoate).

Project description:The title compound, C(6)H(14)N(2) (2+)·2C(7)H(4)ClO(2) (-), contains trimeric units linked by N-H?O hydrogen bonds. The carboxyl-ate groups of the 2-chloro-benzoate anions form dihedral angles of 66.1?(1) and 76.1?(1)° with the respective chloro-benzene rings to which they are bound. The hydrogen-bonded trimers are arranged in layers in the (200) planes and the chloro-benzoate anions form edge-to-face inter-actions between layers, with dihedral angles of 61.9?(1) and 49.8?(1)° and centroid-centroid distances of 4.85?(1) and 4.65?(1)?Å, respectively, for two crystallographically distinct inter-actions.

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1,4-Diazo-niabicyclo-[2.2.2]octane terephthalate.

Project description:In the title compound, C(6)H(14)N(2+)·C(8)H(4)O(4) (2-), the protonated 1,4-diazo-niabicyclo-[2.2.2]octane cations and the deprotonated terephthalate anions are alternately linked by N-H?O hydrogen bonds into chains.

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1,4-Diazo-niabicyclo-[2.2.2]octane hexa-aqua-magnesium bis-(sulfate).

Project description:In the title compound, (C(6)H(14)N(2))[Mg(H(2)O)(6)](SO(4))(2), the Mg(II) ion, lying on an inversion center, is coordinated by six water mol-ecules in a slightly distorted octa-hedral geometry. The 1,4-diazo-niabicyclo-[2.2.2]octane cation is located about a twofold rotation axis. Inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the cations and the anions into a three-dimensional network.

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1,4-Diazo-niabicyclo-[2.2.2]octane tetra-chloridozincate monohydrate.

Project description:In the title compound, (C(6)H(14)N(2))[ZnCl(4)]·H(2)O, the crystal packing is governed by an extensive three-dimensional network of N-H?Cl, N-H?O and O-H?Cl hydrogen bonds. The zinc(II) metal centre has a slightly distorted tetra-hedral coordination geometry.

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1-Chloro-methyl-1,4-diazo-niabicyclo-[2.2.2]octane bis-(hexa-fluoro-phosphate).

Project description:In the crystal structure of the title compound, C(7)H(15)ClN(2) (2+)·2PF(6) (-), the cations and anions are linked by inter-molecular N-H⋯F hydrogen bonds.

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1,4-Diazo-niabicyclo-[2.2.2]octane tetra-bromidocadmate(II) monohydrate.

Project description:The metal atom in the anion of the title salt, (C(6)H(14)N(2))[CdBr(4)]·H(2)O, shows a slightly distorted tetra-hedral coordination. The water mol-ecule is involved in three hydrogen bonds, viz. one N-H?O and two O-H?Br, and an N-H?Br inter-action consolidates the three-dimensional network.

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1,4-Diazo-niabicyclo-[2.2.2]octane tetra-chloroiodate(III) chloride.

Project description:In the title compound, C(6)H(14)N(2) (2+)·Cl(4)I(-)·Cl(-), the dication and the anions lie on special positions. The dication has mm2 symmetry with two bonded C atoms and the two N atoms located on a crystallographic mirror plane parallel to bc, and with a mirror plane parallel to ab passing through the mid points of the three C-C bonds. In the square-planar Cl(4)I(-) anion, two Cl atoms and the I atom are located on the mm2 axis; the other two Cl atoms are disordered over two postions of equal occupancy (0.25) across the mirror parallel to the ab plane. The Cl(-) anion is located on the mm2 axis. The crystal structure is stabilized by inter-molecular N-H⋯Cl hydrogen bonds.

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1,4-Diazo-niabicyclo-[2.2.2]octane tetra-bromidocuprate(II) monohydrate.

Project description:In the title monohydrated salt, (C(6)H(14)N(2))[CuBr(4)]·H(2)O, the copper(II) ion is coordinated by the four bromide ions in a flattened tetra-hedral geometry. In the crystal, the cations, anions and water mol-ecules inter-act via N-H⋯O, O-H⋯Br and N-H⋯Br hydrogen bonds, forming chains parallel to the b axis. The chains are further linked by O-H⋯Br hydrogen bonds into layers parallel to the bc plane.

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1,2-Dimethyl-1,4-diazo-niabicyclo-[2.2.2]octane tetra-chloridocuprate(II).

Project description:In the title compound, (C(8)H(18)N(2))[CuCl(4)], torsion angles on the ethyl-ene bridges of the 1,4-diazo-niabicyclo-[2.2.2]octane fragment are in the range 11.9?(5)-15.0?(5)° and the [CuCl(4)](2-) anion has a strongly distorted tetra-hedral geometry. The cation is connected to the anion via three-center N-H?Cl hydrogen bonds.

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1-Chloro-methyl-1,4-diazo-niabicyclo[2.2.2]octane tetra-chloridocuprate(II).

Project description:In the crystal structure of the title compound, (C(7)H(15)ClN(2))[CuCl(4)], a weak inter-molecular N-H?Cl hydrogen bond is observed between the organic dication and the tetrahedral [CuCl(4)](2-) anion. The organic dication is distorted, as indicated by the N-C-C-N torsion angles, which range from 16.76?(4) to 19.54?(3)°.

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