Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Zeng F

PROVIDER: S-EPMC3770382 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zeng Fanglei F Yin Zhenming Z

Acta crystallographica. Section E, Structure reports online 20130615 Pt 7

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]. ...[more]

PMID: 24046667

Similar Datasets

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.

| S-EPMC2961538 | biostudies-literature

Poly[[tri-μ-cyanido-cyanido(1,4,10,13-tetra-oxa-7,16-diaza-cyclo-octa-deca-ne)barium(II)platinum(II)] hemihydrate].

Project description:The title compound, {[BaPt(CN)(4)(C(12)H(26)N(2)O(4))]·0.5H(2)O}(n), is a two-dimensional coordination polymer in which the sheets are oriented approximately parallel to the (01) set of crystal planes. In the crystal structure, disordered water mol-ecules (half occupancy) connect the sheets into a three-dimensional network via inter-molecular O-H⋯O hydrogen bonds. An N-H⋯N inter-action is also present. The shortest Pt⋯Pt contacts are 7.5969 (4) Å by an inversion relationship and 7.6781 (4) Å by translation along the a axis.

| S-EPMC2968926 | biostudies-literature

3,12-Diaza-6,9-diazo-nia-2,13-dioxotetra-decane bis-(perchlorate).

Project description:The crystal structure of the title diprotonated diacetyl-triethyl-ene-tetra-mine (DAT) perchorate salt, C(10)H(24)N(4)O(2) (2+)·2ClO(4) (-), can be described as a three-dimensional assembly of alternating layers consisting of diprotonated diacetyl-triethyl-ene-tetra-mine (H(2)DAT)(2+) strands along [100] and the anionic species ClO(4) (-). The (H(2)DAT)(2+) cations in the strands are connected via N-H?O hydrogen bonding between the acetyl groups and the amine groups of neighbouring (H(2)DAT)(2+) cations. Layers of (H(2)DAT)(2+) strands and perchlorate anions are connected by a network of hydrogen bonds between the NH and NH(2) groups and the O atoms of the perchlorate anion. The asymmetric unit consits of one perchlorate anion in a general position, as well as of one cation that is located on a center of inversion.

| S-EPMC3275019 | biostudies-literature

?-Hexa-thio-metadiphosphato-bis-[(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-?(6) O)rubidium] aceto-nitrile disolvate.

Project description:The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972?(1)?Å from the O atoms of the crown in the direction of the [P2S6](2-) moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6](2-) anion. The hexa-thio-metadiphosphate anion is built up from two tetra-hedral PS4 units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and aceto-nitrile solvent mol-ecules stacked along [010].

| S-EPMC4004430 | biostudies-literature

N,N,2,4,6-Penta-methyl-anilinium hexa-fluoro-phosphate-1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane (2/1).

Project description:In the title compound, 2C11H18N(+)·2PF6 (-)·C12H24O6, the 18-crown-6 mol-ecule has crystallographically imposed inversion symmetry. In the crystal, it inter-acts with the cation through weak C-H⋯O hydrogen bonds. The cations and anions are further linked via N-H⋯F and C-H⋯F hydrogen bonds, leading to a sandwich structure .

| S-EPMC3914100 | biostudies-literature

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

Project description: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.

| S-EPMC3212341 | biostudies-literature

catena-Poly[ammonium (cadmium-tri-?-thio-cyanato-?S:N;?N:S)-1,4,10,13,16-hexa-oxa-cyclo-octa-decane (1/1)].

Project description:In the title compound, {(NH(4))[Cd(NCS)(3)]·C(12)H(24)O(6)}(n), the Cd(2+) ion, the ammonium cation, one of the SCN(-) ligands and the macrocycle are located on mirror planes. The thiocyanate anions act as bridging ligands between the Cd(II) ions, leading to a polymeric chain arrangement extending along [001] around a twofold screw axis. The ammonium ions are contained within the bowl of the macrocycle via extensive N-H?O hydrogen bonding.

| S-EPMC3297278 | biostudies-literature

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

1,3,5,7,9,11,13,15-Octa-azapenta-cyclo-[9.5.1.1.0.0]octa-decane-4,8,12,16-tetrone monohydrate: a methyl-ene-bridged glycoluril dimer.

Project description:In the title compound, C(10)H(12)N(8)O(4)·H(2)O, prepared from the reaction of glycoluril with paraformaldehyde, the organic molecule has mm symmetry. The asymmetric unit comprises one quarter of the mol-ecule and a half-mol-ecule of water. The dimer is formed by bridging two glycoluril mol-ecules with methyl-ene groups at the 1 and 6 positions. In the crystal structure, mol-ecules are linked via N-H?O and O-H?O hydrogen bonds, forming a two-dimensional framework.

| S-EPMC2960615 | biostudies-literature

4,11-Diaza-1,8-diazo-niacyclo-tetra-decane bis-(pyridine-2-carboxyl-ate) dihydrate.

Project description:The asymmetric unit of the title compound, C(10)H(26)N(4) (2+)·2C(6)H(4)NO(2) (-)·2H(2)O, consists of half of a doubly protonated 1,4,8,11-tetra-azacyclo-tetra-decane (cyclam) dication, a pyridine-2-carboxyl-ate anion and a solvent water mol-ecule. The complete dication is generated by a crystallographic centre and adopts an endodentate conformation which may be influenced by intra-molecular N-H?N hydrogen bonding. The carboxyl-ate group of the anion appears to be delocalized on the basis of the C-O bond lengths [1.257?(2) and 1.250?(2)?Å]. In the crystal structure, the components are linked by inter-molecular N-H?O, N-H?N and O-H?O hydrogen bonds.

| S-EPMC2970343 | 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