Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

7,11,18,21-Tetra-oxatrispiro-[5.2.2.5.2.2]heneicosa-ne.

ABSTRACT: The four six-membered rings all adopt chair conformations in the two independent mol-ecules of the title cyclo-hexa-none cyclic diacetal with penta-erythritol, C(17)H(28)O(4).

SUBMITTER: Shi JH

PROVIDER: S-EPMC2971193 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

7,11,18,21-Tetra-oxatrispiro-[5.2.2.5.2.2]heneicosa-ne.

Shi Jiang-Hua JH Yuan Xian-You XY Zhang Min M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20091010 Pt 11

The four six-membered rings all adopt chair conformations in the two independent mol-ecules of the title cyclo-hexa-none cyclic diacetal with penta-erythritol, C(17)H(28)O(4). ...[more]

PMID: 21578311

Similar Datasets

(μ-1,4,7,10-Tetra-oxacyclo-dodeca-ne)bis-[(1,4,7,10-tetra-oxacyclo-dodeca-ne)lithium] bis-(perchlorate).

Project description:12-Crown-4 ether (12C4) and LiClO(4) combine to form the ionic title compound, [Li(2)(C(8)H(16)O(4))(3)](ClO(4))(2), which is com-posed of discrete Li/12C4 cations and perchlorate anions. In the [Li(2)(12C4)(3)](2+) cation there are two peripheral 12C4 ligands, which each form four Li-O bonds with only one Li(+) atom. Additionally there is a central 12C4 in which diagonal O atoms form one Li-O bond each with both Li(+) atoms. Therefore each Li(+) atom is penta-coordinated in a distorted square-pyramidal geometry, forming four longer bonds to the O atoms on the peripheral 12C4 and one shorter bond to an O atom of the central 12C4. The cation occupies a crystallographic inversion centre located at the center of the ring of the central 12C4 ligand. The Li(+) atom lies above the cavity of the peripheral 12C4 by 0.815 (2) Å because it is too large to fit in the cavity.

| S-EPMC2983931 | biostudies-literature

3,3,9,9-Tetra-phenyl-2,4,8,10-tetra-oxa-spiro-[5.5]undeca-ne.

Project description:In the title compound, C(31)H(28)O(4), the asymmetric unit contains two crystallographically independent mol-ecules. In these two mol-ecules, the four dihedral angles between each pair of phenyl rings on the same C atoms are 75.4 (1), 83.0 (1), 85.0 (1) and 80.4 (2)°. All of the nonplanar six-membered heterocycles adopt chair conformations. Inter-molecular C-H⋯π and weak C-H⋯O inter-actions link the mol-ecules and are effective in the stabilization of the crystal structure.

| S-EPMC3009283 | biostudies-literature

trans-Dichlorido(1,4,8,11-tetra-azacyclo-tetra-deca-ne)manganese(III) tetra-fluorido-borate.

Project description:In the title manganese(III) complex, [MnCl(2)(C(10)H(24)N(4))]BF(4) or trans-[MnCl(2)(cyclam)]BF(4) (cyclam is the tetra-dentate amine ligand 1,4,8,11-tetra-azacyclo-tetra-deca-ne), the Mn(III) ions occupy the center of a distorted octa-hedron coordinated by all four ligand nitro-gen donors in the macrobicyclic cavity and two chloride ions occupy the axial positions. Intra-molecular hydrogen bonding involving the coordinated chloride ions and the hydrogen atoms of the cyclam ligand is observed. Inter-molecular hydrogen bonding involving the tetrafluoridoborate anion and hydrogen atoms of the cyclam ligand leads to an infinite one-dimensional chain along the a axis. The tetra-fluoridoborate and inorganic units are linked by N-H⋯F hydrogen bonds. The structure may be compared with those of analogous compounds [MnCl(2)(cyclam)]ClO(4) and [Mn(CN)(2)(cyclam)]ClO(4).

| S-EPMC2983670 | biostudies-literature

Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) fumarate tetra-hydrate.

Project description:The asymmetric unit of the title complex salt, [Ni(C(10)H(24)N(4))(H(2)O)(2)](C(4)H(2)O(4))·4H(2)O, comprises half of a nickel(II) complex dication, half of a fumarate dianion and two water mol-ecules. Both the Ni(II) cation and fumarate anion lie on a crystallographic inversion center. The Ni(II) ion in the cyclam complex is six-coordinated within a distorted N(4)O(2) octa-hedral geometry, with the four cyclam N atoms in the equatorial plane and the two water mol-ecules in apical positions. The six-membered metalla ring adopts a chair conformation, whereas the five-membered ring exists in a twisted form. In the crystal packing, inter-molecular O-H⋯O hydrogen bonds between the water molecules and the carboxyl groups of the fumarate anions lead to the formation of layers with R(4) (2)(8) ring motifs. Ni(II) complex cations are sandwiched between two such layers, being held in place by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, consolidating a three-dimensional network.

| S-EPMC3007087 | biostudies-literature

6,10,16,19-Tetra-oxatrispiro-[4.2.2.4.2.2]nona-deca-ne.

Project description:The asymmetric unit of the title compound, C(15)H(24)O(4), contains one half-mol-ecule; a twofold rotation axis passes through the central C atom. The non-planar six- and five-membered rings adopt chair and envelope conformations, respectively. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2960158 | 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

3,9-Diisopropyl-2,4,8,10-tetra-thia-spiro-[5.5]undeca-ne.

Project description:The mol-ecule of the title compound, C(13)H(24)S(4), has C2 symmetry and it crystallizes as a racemate. The structure displays two six-membered rings exhibiting chair conformations, with the isopropyl substituents in equatorial positions. In the crystal structure, weak inter-molecular C-H?S inter-actions are observed, leading to a channel-like arrangement along the c axis.

| S-EPMC2983234 | biostudies-other

Diaqua-(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)nickel(II) tetra-cyanidonickelate(II).

Project description:In the title complex, [Ni(C(16)H(36)N(4))(H(2)O)(2)][Ni(CN)(4)], the [Ni(teta)(H(2)O)(2)](2+) cations (teta = 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne) and [Ni(CN)(4)](2-) anions are arranged in an alternating fashion through electrostatic and N-H⋯N and O-H⋯N hydrogen-bonding inter-actions, forming a two-dimensional layered structure. Adjacent layers are linked through weak van der Waals inter-actions, resulting in a three-dimensional supra-molecular network.

| S-EPMC2970059 | biostudies-literature

(1,4,7,10-Tetra-oxacyclo-dodeca-ne)(trideuteroacetonitrile)lithium perchlorate.

Project description:In the title compound, [Li(C(8)H(16)O(4))(CD(3)CN)]ClO(4), the Li atom is penta-coordinate. The O atoms of the 12-crown-4 ether form the basal plane, whereas the N atom of the trideutero-aceto-nitrile occupies the apical position. The Li(+) atom is displaced by 0.794 (6) Å toward the apical position from the plane formed by the O atoms because the Li(+) atom is too large to fit in the cavity of the 12-crown-4 ether, resulting in a distorted square-pyramidal geometry about the Li(+) atom.

| S-EPMC2983791 | biostudies-literature

Synthesis and crystal structure of di-aqua-(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)zinc(II) bis-(hydrogen 4-phospho-natobiphenyl-4'-carboxyl-ato)(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)zinc(II).

Project description:In the asymmetric unit of the title compound, trans-di-aqua-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4 N 1,N 4,N 8,N 11)zinc(II) trans-bis-(hydrogen 4-phospho-natobiphenyl-4'-carboxyl-ato-κO)(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4 N 1,N 4,N 8,N 11)zinc(II), [Zn(C10H24N4)(H2O)2][Zn(C13H9O5P)2(C10H24N4)], both Zn atoms lie on crystallographic inversion centres and the atoms of the macrocycle in the cation are disordered over two sets of sites. In both macrocyclic units, the metal ions possess a tetra-gonally elongated ZnN4O2 octa-hedral environment formed by the four secondary N atoms of the macrocyclic ligand in the equatorial plane and the two trans O atoms of the water mol-ecules or anions in the axial positions, with the macrocyclic ligands adopting the most energetically favourable trans-III conformation. The average Zn-N bond lengths in both macrocyclic units do not differ significantly [2.112 (12) Å for the anion and 2.101 (3) Å for the cation] and are shorter than the average axial Zn-O bond lengths [2.189 (4) Å for phospho-nate and 2.295 (4) Å for aqua ligands]. In the crystal, the complex cations and anions are connected via hydrogen-bonding inter-actions between the N-H groups of the macrocycles, the O-H groups of coordinated water mol-ecules and the P-O-H groups of the acids as proton donors, and the O atoms of the phospho-nate and carboxyl-ate groups as acceptors, resulting in the formation of layers lying parallel to the (110) plane.

| S-EPMC9431794 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data