Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,16-Diiodo-hexa-deca-ne.

ABSTRACT: The mol-ecular structure of the title compound, C(16)H(32)I(2), is centrosymmetric and the mol-ecular skeleton, including both terminal I atoms, has an all-trans conformation. The mol-ecules form layers of thickness a. These features are similar to those of the smectic C phase of liquid crystals.

SUBMITTER: Nakamura N

PROVIDER: S-EPMC2960330 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,16-Diiodo-hexa-deca-ne.

Nakamura Naotake N Ishizu Daisuke D

Acta crystallographica. Section E, Structure reports online 20080111 Pt 2

The mol-ecular structure of the title compound, C(16)H(32)I(2), is centrosymmetric and the mol-ecular skeleton, including both terminal I atoms, has an all-trans conformation. The mol-ecules form layers of thickness a. These features are similar to those of the smectic C phase of liquid crystals. ...[more]

PMID: 21201445

Similar Datasets

2,9-Diiodo-hexa-cyclo-[9.3.1.1(2,6).1(4,8).1(9,13).0(1,8)]octa-deca-ne.

Project description:The title compound, C(18)H(24)I(2), has an adamantanoid structure with tetra-hedral cages having four C atoms lying on the same plane [(I-)C-C-C-C(-I) torsion angle = 0°]. The plane is extended by the two I atoms, each having a deviation of 1.0 (6) Å [C-C-C-I torsion angle = 178.9 (4)°]. The central C-C bond connecting the two quaternary carbons seems enlarged [1.593 (9) Å] in comparison to the corresponding bond in [2]diadamantane [1.554 (3) Å]. This is attributed to the presence of the electronegative I atoms, which affect inductively the C atoms of the four-C-atom plane, making the central C-C bond weaker.

| S-EPMC3414276 | 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

trans-(1,8-Dibenzyl-1,3,6,8,10,13-hexa-azacyclo-tetra-deca-ne)diisonicotinatonickel(II).

Project description:In the centrosymmetric title compound, [Ni(C(6)H(4)NO(2))(2)(C(22)H(34)N(6))], the Ni(II) ion is bonded to the four secondary N atoms of the macrocyclic ligand in a square-planar fashion and two carboxyl-ate O atoms of the isonicotinate ions in axial positions, resulting in a tetra-gonally distorted octa-hedron. An offset face-to-face π-π stacking inter-action [centroid-centroid distance = 3.674(4) Å] and N-H⋯N and N-H⋯O hydrogen-bonding inter-actions give rise to a one-dimensional supra-molecular structure in the solid state.

| S-EPMC2960468 | biostudies-literature

N'-[(E)-2-Hy-droxy-3,5-diiodo-benzyl-idene]cyclo-hexa-ne-1-carbohydrazide.

Project description:In the title compound, C(14)H(10)I(2)N(2)O(2), the two aromatic rings are inclined at a dihedral angle of 16.72 (33)°. The mol-ecular structure is stabilized by an intra-molecular O-H⋯N hydrogen bond. In the crystal, inter-molecular N-H⋯O inter-actions link the mol-ecules into chains running along the c axis. C-H⋯O inter-actions also occur. The crystal used for the structure determination was a non-merohedral twin with a domain ratio of 0.972 (2):0.028 (2).

| S-EPMC3201245 | biostudies-literature

Bromido(1,4,7,10,13-penta-aza-cyclo-hexa-deca-ne)cobalt(III) dibromide dihydrate.

Project description:The title salt, [CoBr(C11H27N5)]Br2·2H2O, contains a complex cation with mirror symmetry and two Br(-) counter-anions that are likewise located on the mirror plane. The central Co(III) atom of the complex cation has one Br(-) ion in an axial position, one N atom of the penta-dentate macrocyclic ligand in the other axial position and four N atoms of the ligand in equatorial positions, defining a distorted octa-hedral coordination geometry. The macrocyclic ligand is coordinated to the Co(III) atom within a 5, 6, 5 arrangement of chelate rings in the equatorial plane of the four N atoms. Due to symmetry, the configuration of the chiral N atoms is 1RS, 4SR, 10RS, 13SR. In the crystal, N-H⋯Br, O-H⋯Br and N-H⋯O hydrogen bonds between the complex cation, anions and lattice water mol-ecules generate a three-dimensional network.

| S-EPMC3629467 | biostudies-literature

trans-Diazido-(1,8-dibenzyl-1,3,6,8,10,13-hexa-azacyclo-tetra-deca-ne)nickel(II).

Project description:In the centrosymmetric title compound, [Ni(N(3))(2)(C(22)H(34)N(6))], the Ni(II) ion is coordinated by the four secondary N atoms of the macrocyclic ligand in a square-planar fashion with two N atoms of the azide ions in axial positions, resulting in a tetra-gonally distorted octa-hedron. An N-H⋯N hydrogen-bonding inter-action between the secondary amine N atom of the macrocycle and an adjacent azide ion gives rise to a chain structure.

| S-EPMC2961652 | biostudies-literature

Tris[(1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)rubidium] heptaantimonide-ammonia (1/4).

Project description:The crystal structure of the title compound, [Rb(C(12)H(24)O(6))](3)[Sb(7)]·4NH(3), fills the gap between the already known Zintl anion ammoniates {[Cs(18-crown-6)](3)Sb(7)}(2)·9NH(3) [Wiesler (2007 ▶). Dissertation, Universität Regensburg, Germany] and [K(18-crown-6)](3)Sb(7)·4NH(3) [Hanauer (2007 ▶). Dissertation, Universität Regensburg, Germany]. As in the two known compounds, the anti-mony cage anion in this crystal structure is coordinated by three alkali cations. The coordination spheres of each of the cations are saturated by 18-crown-6 mol-ecules. The ammonia mol-ecules of crystallization are situated between the crown ethers. The neutral, mol-ecular [Rb(18-crown-6)](3)Sb(7) units are inter-connected by multiple dipole-dipole interactions between ammonia and 18-crown-6.

| S-EPMC3246972 | biostudies-literature

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

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.

| S-EPMC4555389 | biostudies-literature

Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-(perchlorate) monohydrate and (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) dibromide trihydrate.

Project description:The crystal structure of the Ni-14 macrocycle salt, (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-(perchlorate) hemihydrate, [Ni(C16H36N4)]2(ClO4)4·H2O, contains two different diasteriomeric macrocyclic cations in the asymmetric unit, one with two NH protons on each side of the cation (Ia), and the other with all four NH protons on the same side (Ib). The crystal structure of the bromide trihydrate salt of the same Ni-14 macrocyclic cation, namely (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) dibromide trihydrate, [Ni(C16H36N4)]Br2·3H2O (II), contains only the same diastereomer as Ib, with the four N-H bonds on the same side. The geometry around the Ni atom differs slightly between the two diastereomeric cations, as the mean Ni-N distance in Ia is 1.952 (2) Å, while that for Ib and II is 1.928 (2) Å. The hexa-methyl substitution in all three macrocyclic cations has the two dimethyl-substituted C atoms cis to one another, different from the trans 5,5,7,12,12,14-hexa-methyl Ni-14 cations found in all but one of the many published crystal structures of hexa-methyl Ni-14 macrocycles. In each of the two crystal structures, the anions, water mol-ecules, and N-H protons of the macrocyclic cations form extensive hydrogen-bonded zigzag chains propagating along [001] in I and [010] in II.

| S-EPMC6399696 | 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