Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3,9,10,15,16-Hexaaza-tetra-cyclo-[6.6.2.0(4,16).0(11,15)]hexa-decane dihydrate.

ABSTRACT: The four six-membered fused rings in the title compound, C(10)H(20)N(6)·2H(2)O, adopt chair conformations; the H atoms of the four secondary N atoms occupy axial positions. Hydrogen bonds of the types N-H⋯N, N-H⋯O and O-H⋯N link the organic and water mol-ecules into a three-dimensional network.

SUBMITTER: How FN

PROVIDER: S-EPMC3414990 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Tetra-kis(3,5-xylidinium) dihydrogen cyclo-hexa-phosphate dihydrate.

Project description:In the title compound, 4C(8)H(12)N(+)·H(2)P(6)O(18) (4-)·2H(2)O, the complete cyclo-hexa-phosphate anion is generated by inversion symmetry. Crystal cohesion and stability are supported by electrostatic inter-actions which, together with N-H?O and O-H?O hydrogen bonds, build up a three-dimensional network.

| S-EPMC2980186 | biostudies-literature

Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-decane-?N,N,N,N)copper(II) didodeca-noate dihydrate.

Project description:The title compound, [Cu(C(10)H(24)N(4))(H(2)O)(2)][CH(3)(CH(2))(10)CO(2)](2)·2H(2)O, consists of one cationic copper(II) complex, two dodeca-noate anions and two water solvent mol-ecules. The Cu(II) atom is located on an inversion center and is chelated by the four aza N atoms of the neutral 1,4,8,11-tetra-aza-cyclo-tetra-decane (cyclam) ligand and by two water mol-ecules in axial positions, giving an octa-hedral coordination geometry, distorted as a consequence of the Jahn-Teller effect. The uncoordinated water mol-ecules link the complex cations and the dodeca-noate counter-ions through O-H?O hydrogen bonding, forming a layer structure parallel to (001). Inter-molecular N-H?O inter-actions also occur.

| S-EPMC3089101 | biostudies-literature

Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-decane-?N,N,N,N)copper(II) dihepta-noate dihydrate.

Project description:The Cu(II) atom in the title salt, [Cu(C(10)H(24)N(4))(H(2)O)(2)][CH(3)(CH(2))(5)CO(2)](2)·2H(2)O, is chelated by the four N atoms of the 1,4,8,11-tetra-aza-cyclo-tetra-decane (cyclam) ligand and is coordinated by two water mol-ecules in a tetra-gonally Jahn-Teller-distorted octa-hedral geometry. The Cu(II) atom lies on a center of inversion. The cations, anions and uncoordinated water mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, forming a layer structure parallel to (100). The alkyl chain of the anion is disordered over two positions in a 0.82?(1):0.18?(1) ratio.

| S-EPMC3007509 | biostudies-literature

Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κN,N,N,N)copper(II) dideca-noate dihydrate.

Project description:The Cu(II) atom in the title salt, [Cu(C(10)H(24)N(4))(H(2)O)(2)][CH(3)(CH(2))(8)CO(2)](2)·2H(2)O, is chelated by the four N atoms of the 1,4,8,11-tetra-aza-cyclo-tetra-decane (cyclam) ligand and is coordinated by two water mol-ecules in a Jahn-Teller-type tetra-gonally distorted octa-hedral geometry. The Cu(II) atom lies on a center of inversion. The cations, anions and uncoordinated water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a layer structure parallel to (001).

| S-EPMC3007572 | biostudies-literature

1,4,8,11-Tetra-kis(carboxy-meth-yl)-5,5,7,12,12,14-hexa-methyl-4,11-diaza-1,8-diazo-niacyclo-tetra-decane dichloride dihydrate.

Project description:The title compound, C(24)H(46)N(4)O(8) (2+)·2Cl(-)·2H(2)O, was synthes-ized by the hydrolysis of tetra-ethyl 2,2',2'',2'''-(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-1,4,8,11-tetra-yl) tetra-acetate in hydro-chloric acid solution. The crystal structure of the title compound consists of a 14-membered C(10)N(4) centrosymmetric cationic macrocycle which inter-acts with the chloride ions and water mol-ecules of crystallization to give a three-dimensional hydrogen-bonded network.

| S-EPMC2961112 | biostudies-literature

1,4,8,11-Tetra-azonia-cyclo-tetra-decane tetra-kis-(hydrogensulfate).

Project description:In the title salt, C10H28N4 (4+)·4HSO4 (-), the cation lies about an inversion center. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds connect the anions and cations, forming a three-dimensional network.

| S-EPMC3793773 | biostudies-literature

Diaqua-[(1R,2S,4R,8R,9S,11R)-2,9-di-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane]nickel(II) dichloride dihydrate.

Project description:The crystal structure of the title complex, [Ni(C(12)H(28)N(4))(H(2)O)(2)]Cl(2)·2H(2)O, displays O-H?Cl and O-H?O hydrogen bonding. The tetra-aza-cyclo-tetra-decane ligand inter-acts with the Ni(II) atom in the cis V configuration and the final two ligand binding sites are occupied by water.

| S-EPMC3414157 | biostudies-literature

Bromido(meso-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-1,7-diene)copper(II) bromide dihydrate.

Project description:There are two formula units (Z' = 2) in the asymmmetric unit of the title compound, [CuBr(C(16)H(32)N(4))]Br·2H(2)O. The title crystal consists of two [Cu(C(16)H(32)N(4))](2+) cations, two Br(-) anions and four uncoordinated water mol-ecules. The metal atom is five-coordinate square pyramidal, with a long apical Cu-Br bond [2.9734 (11) and 2.9229 (11) Å in the two cations]. The two cations form a loosely associated dimer through the formation of hydrogen bonds between both N-H and O-H and Br(-). In addition, there is a network of N-H⋯Br, O-H⋯Br and N-H⋯O hydrogen bonds, leading to the formation of a chain structure.

| S-EPMC3089360 | biostudies-literature

Bis(dimethyl-ammonium) 3,3'-dicarb-oxy-5,5'-(5,7,12,14-tetra-oxo-6,13-diaza-tetra-cyclo-[6.6.2.0(4,16).0(11,15)]hexa-deca-1,3,8,10,15-penta-ene-6,13-di-yl)dibenzoate dihydrate.

Project description:The title compound, 2C(2)H(8)N(+)·C(30)H(12)N(2)O(12) (2-)·2H(2)O, comprises dimethyl-ammonium cations, 3,3'-dicarb-oxy-5,5'-(5,7,12,14-tetra-oxo-6,13-diaza-tetra-cyclo-[6.6.2.0(4,16).0(11,15)]hexa-deca-1,3,8,10,15-penta-ene-6,13-di-yl)dibenzoate dianions and water mol-ecules. The dianion is situated on a crystallographic inversion centre. Two very strong symmetry-restricted O⋯H⋯O hydrogen bonds are present which are situated about the crystallographic inversion centres. In one of these hydrogen bonds, the H atom is situated at its centre, while in the other one the H atom is disordered about its centre. Both H atoms are involved in the chain-like C(2) (2)(16) motif, and not in a more common motif R(2) (2)(8) that is composed of a pair of hydrogen carboxyl-ates with the H atoms situated about the centre between the pair of O atoms. In the crystal, inter-action of these hydrogen bonds results in formation of anionic layers of dianions parallel to (-111). The water mol-ecules donate their H atoms to one of two of the carboxyl-ate O atoms, forming strong hydrogen bonds. The dimethyl-ammonium donates a bifurcated hydrogen bond to an oxo group of the dianion, forming weak hydrogen bonds. All the hydrogen bonds form a three-dimensional hydrogen-bonded network.

| S-EPMC3393979 | biostudies-literature

Hexamethyl 13,14-dioxapenta-cyclo-[8.2.1.1(4,7).0(2,9).0(3,8)]tetra-deca-5,11-diene-1,4,5,6,11,12-hexa-carboxyl-ate.

Project description:In the title compound, C(24)H(24)O(14), the stereochemistry at the cyclo-butane ring is cis-anti-cis and the -COOMe groups in the bicyclic rings are syn to each other. The mol-ecule lies on a twofold rotation axis. In the crystal, weak C-H?O hydrogen bonds connect mol-ecules into chains along [001], forming R(2) (2)(10) rings.

| S-EPMC3470332 | 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