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4,7,13,18-Tetra-oxa-1,10-diazo-nia-bicyclo-[8.5.5]icosane hexa-fluorido-silicate.

ABSTRACT: The asymmetric unit of the title molecular salt, C(14)H(30)N(2)O(4) (2+)·SiF(6) (2-), contains half of both the anion and the cation, both ions being completed by a crystallographic twofold axis passing through the Si atom. The cation has a cage structure with the ammonium H atoms pointing into the cage. These H atoms are shielded from inter-molecular inter-actions and form only intra-molecular contacts. There are short inter-molecular C-H?F inter-actions in the structure, but no conventional inter-molecular hydrogen bonds.

SUBMITTER: Sen Gupta N

PROVIDER: S-EPMC3212341 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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4,7,13,18-Tetra-oxa-1,10-diazo-nia-bicyclo-[8.5.5]icosane hexa-fluorido-silicate.

Sen Gupta Nalinava N Wragg David S DS Tilset Mats M Omtvedt Jon Petter JP

Acta crystallographica. Section E, Structure reports online 20110709 Pt 8

The asymmetric unit of the title molecular salt, C(14)H(30)N(2)O(4) (2+)·SiF(6) (2-), contains half of both the anion and the cation, both ions being completed by a crystallographic twofold axis passing through the Si atom. The cation has a cage structure with the ammonium H atoms pointing into the cage. These H atoms are shielded from inter-molecular inter-actions and form only intra-molecular contacts. There are short inter-molecular C-H⋯F inter-actions in the structure, but no conventional in ...[more]

PMID: 22090998

Similar Datasets

4,7,13,18-Tetra-oxa-1,10-diazo-nia-bicyclo-[8.5.5]icosane bis-(hexa-fluorido-phosphate).

Project description:The asymmetric unit of the title structure, C(14)H(30)N(2)O(4) (2+)·2PF(6) (-), contains the anion and half of the cation, the latter being completed by a crystallographic twofold axis. The cation has a cage structure with the ammonium H atoms pointing into the cage. These H atoms are shielded from inter-molecular inter-actions and form only intra-molecular contacts. There are short inter-molecular C-H?F inter-actions in the structure, but no conventional inter-molecular hydrogen bonds.

| S-EPMC3212317 | biostudies-other

1,4,10,13-Tetra-oxa-7,16-diazo-nia-cyclo-octa-decane bis-(1H-pyrrole-2-carboxyl-ate).

Project description:In the title salt, C12H28N2O4 (2+)·2C5H4NO2 (-), the 1,4,10,13-tetra-oxa-7,16-di-aza-cyclo-octa-decane dication possesses inversion symmetry. In the crystal, the pyrrole-carboxyl-ate anions are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers. These dimers are linked by the dications, via N-H⋯O hydrogen bonds, forming chains propagating along [110].

| S-EPMC3770382 | biostudies-literature

Tris(ethyl-enediamine)zinc(II) hexa-fluorido-silicate.

Project description:The title compound, [Zn(C(2)H(8)N(2))(3)](SiF(6)), was synthesized ionothermally using choline chloride-imidazolidone as solvent and template provider. In the crystal structure, the anions and cations are located on special positions of site symmetry 3.2 and show a typical octa-hedral geometry. The Zn(II) ion is coordinated by six N atoms from three ethyl-enediamine mol-ecules. The crystal structure displays weak hydrogen bonding between [SiF(6)](2-) anions and the ethyl-enediamine NH hydrogen atoms.

| S-EPMC2972015 | biostudies-literature

Crystal structure of di-chlorido-(4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-deca-ne)iron(III) hexa-fluorido-phosphate.

Project description:The title compound, [FeCl2(C14H30N4)]PF6, contains Fe(3+) coordinated by the four nitro-gen atoms of an ethyl-ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa-hedral environment. In contrast to other similar compounds this is a monomer. Inter-molecular C-H⋯Cl inter-actions exist in the structure between the complex ions. Comparison with the mononuclear Fe(2+) complex of the same ligand shows that the smaller Fe(3+) ion is more fully engulfed by the cavity of the bicyclic ligand. Comparison with the μ-oxido dinuclear complex of an unsubstituted ligand of the same size demonstrates that the methyl groups of 4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-decane prevent dimerization upon oxidation.

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1,4,10,13-Tetra-oxa-7,16-diazo-niacyclo-octadecane bis-[tetra-chloridoaurate(III)] dihydrate.

Project description:The asymmetric unit of the title compound, (C(12)H(28)N(2)O(4))[AuCl(4)](2)·2H(2)O, contains one half-cation, one anion and one water mol-ecule; the cation is centrosymmetric. The Au ion has a square-planar coordination. In the crystal structure, intra-molecular N-H?O and O-H?O, and inter-molecular N-H?O, O-H?Cl and N-H?Cl hydrogen bonds link the ions and water mol-ecules, forming a supra-molecular structure.

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Crystal structure of bis-(propane-1,3-diaminium) hexa-fluorido-aluminate di-aqua-tetra-fluorido-aluminate tetra-hydrate.

Project description:The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di-amino-propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules. The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane. In the crystal, inter-molecular N-H?F and O-H?F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol-ecules, which generate O-H?O hydrogen bonds and further consolidate the packing.

| S-EPMC4257444 | biostudies-literature

(4,7,13,16,21,24-Hexaoxa-1,10-diaza-bicyclo-[8.8.8]hexa-cosa-ne)sodium perchlorate.

Project description:The title compound, [Na(C(18)H(36)N(2)O(6))]ClO(4), was isolated and crystallized to understand more fully the ligand's binding specificity to cations. The cation and anion reside at an inter-section of crystallographic twofold and threefold axes. The carbon atoms in the cation are disordered over two positions in a 3:2 ratio, and the anion is equally disordered over two positions. The geometries of the cation and anion are typical. The compound packs in alternating sheets of discrete cations and anions stacked along the c axis, separated by a distance equal to one-sixth the length of the c axis.

| S-EPMC2971382 | biostudies-literature

(4,7,13,16,21,24-Hexaoxa-1,10-di-aza-bicyclo-[8.8.8]hexa-cosa-ne)sodium iodide-1,1,2,2,tetra-fluoro-1,2-diiodo-ethane (2/3).

Project description:The title complex (CX1), [Na(C18H36N2O6)]I·1.5C2F4I2, is a three-component adduct containing a [2.2.2]-cryptand, sodium iodide and 1,1,2,2-tetra-fluoro-1,2-di-iodo-ethane. The di-iodo-ethane works as a bidentate halogen-bonding (XB) donor, the [2.2.2]-cryptand chelates the sodium cation, and the iodide counter-ion acts as a tridentate XB acceptor. A (6,3) network is formed in which iodide anions are the nodes and halocarbons the sides. The network symmetry is C 3i and the I⋯I(-) XB distance is 3.4492 (5) Å. This network is strongly deformed and wrinkled. It forms a layer 9.6686 (18) Å high and the inter-layer distance is 4.4889 (10) Å. The cations, inter-acting with each other via weak O⋯H hydrogen bonds, are confined between two anionic layers and also form a (6,3) net. The structure of CX1 is closely related to that of the KI homologue (CX2). The 1,1,2,2,-tetrafluoro-1,2-diiodoethane molecule is rotationally disordered around the I⋯I axis, resulting in an 1:1 disorder of the C2F4 moiety.

| S-EPMC3772422 | biostudies-literature

3,3,12,12-Tetra-methyl-1,5,10,14-tetra-oxa-dispiro-[5.2.5.2]hexa-deca-ne.

Project description:The mol-ecule of the title compound, C(16)H(28)O(4), is centrosymmetric. The cyclo-hexane ring and both six-membered dioxane rings adopt chair conformations. In the crystal, the mol-ecules lie in layers in the (100) planes and the shortest inter-molecular contacts are H?H (2.30?Å).

| S-EPMC2969492 | biostudies-literature

Crystal structure of bis-(9H-6-amino-purin-1-ium) hexa-fluorido-silicate(IV) dihydrate.

Project description:The asymmetric unit of the title compound, 2C5H6N5 (+)·SiF6 (2-)·2H2O, contains one adeninium cation, half of a hexa-fluorido-silicate anion located on an inversion centre and one lattice water mol-ecule. The adeninium cations are connected through N-H?N hydrogen bonds involving one H atom of the -NH2 group and the H atom of the protonated N atom of the adenine ring system, forming centrosymmetric ring motifs of the type R 2 (2)(10) and R 2 (2)(8), respectively. The overall connection of the cation leads to the formation of planar ribbons parallel to (122). In the ribbons, slipped ?-? stacking inter-actions, with a centroid-to-centroid distance of 3.6938?(9)?Å, an inter-planar distance of 3.455?Å and a slippage of 1.306?Å is observed. The hexa-fluorido-silicate anion and the water mol-ecule are linked through O-H?F hydrogen bonds [ring motif R 4 (4)(12)] into chains parallel to [100]. The cationic ribbons and anionic chains are finally connected through additional N-H?O, N-H?F and O-H?F hydrogen bonds into a three-dimensional network in which layers of adeninium cations and fluorido-silicate anions alternate parallel to (001).

| S-EPMC4384624 | biostudies-literature

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