Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Guanidinium bromide-18-crown-6 (2/1).

ABSTRACT: In the title compound, 2CH(6)N(3) (+)·2Br(-)·C(12)H(24)O(6), the 18-crown-6 mol-ecule lies about an inversion center, whereas the guanidinium cation and bromide anion are in general positions. The guanidinium cations link with the bromide anions and the crown ether mol-ecules via N-H?O and N-H?Br hydrogen bonds, thus forming a three-dimensional network.

SUBMITTER: Wang YF

PROVIDER: S-EPMC3344632 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Guanidinium bromide-18-crown-6 (2/1).

Wang Yu-Feng YF

Acta crystallographica. Section E, Structure reports online 20120425 Pt 5

In the title compound, 2CH(6)N(3) (+)·2Br(-)·C(12)H(24)O(6), the 18-crown-6 mol-ecule lies about an inversion center, whereas the guanidinium cation and bromide anion are in general positions. The guanidinium cations link with the bromide anions and the crown ether mol-ecules via N-H⋯O and N-H⋯Br hydrogen bonds, thus forming a three-dimensional network. ...[more]

PMID: 22590394

Similar Datasets

Guanidinium chloride-18-crown-6 (2/1).

Project description:In the crystal of the title compound, 2CH(6)N(3) (+)·2Cl(-)·C(12)H(24)O(6), the 18-crown-6 mol-ecule is located across an inversion center. The guanidinium cation links to the 18-crown-6 mol-ecule and chloride anion via N-H⋯O and N-H⋯Cl hydrogen bonds.

| S-EPMC3344600 | biostudies-literature

Bis-(guanidinium) naphthalene-1,5-di-sulfonate-18-crown-6 (1/1).

Project description:In the crystal of the title compound, 2CH(6)N(3) (+)·C(10)H(6)O(6)S(2) (2-)·C(12)H(24)O(6), the 1,5-naphthnalenedisulfonate anion and the 18-crown-6 mol-ecule lie across inversion centers. The guanidin-ium cation links with the 1,5-naphthnalenedisulfonate anion and 18-crown-6 mol-ecule via N-H⋯O hydrogen bonds.

| S-EPMC3343960 | biostudies-literature

Dibenzo-18-crown-6.

Project description:The asymmetric unit of the title compound, C(20)H(24)O(6), contains two mol-ecules that are identical within standard deviations concerning bond lengths and angles as well as their conformations. In the crystal structure, weak C-H?O inter-actions help to consolidate the packing.

| S-EPMC2959367 | biostudies-other

Triaqua-chlorido(18-crown-6)barium chloride.

Project description:In the title compound, [BaCl(C(12)H(24)O(6))(H(2)O)(3)]Cl, the Ba(II) atom, the coordinating and free Cl(-) anions, one coordinating water mol-ecule and two O atoms of an 18-crown-6 mol-ecule lie on a mirror plane. The environment of the ten-coordinate Ba(2+) ion is defined by one Cl atom, three water mol-ecules and six O atoms from the macrocyclic ether. The macrocycle adopts a conformation with an approximate D(3d) symmetry. In the crystal, O-H?Cl hydrogen bonds link the complex cations and Cl(-) anions into a two-dimensional network parallel to (010). An intra-molecular O-H?Cl hydrogen bond is also present.

| S-EPMC3297242 | biostudies-literature

(18-Crown-6)(trifluoro-methane-sulfonato)-sodium.

Project description:The title compound, [Na(CF(3)O(3)S)(C(12)H(24)O(6))], features a sodium cation that is coordinated by eight O atoms in an irregular hexa-gonal bipyramidal environment. The equatorial positions are occupied by the six O atoms of an 18-crown-6 ether ring. In the axial positions, there is one O atom of a trifluoro-methane-sulfonate anion and an ether O atom of a symmetry-equivalent crown ether ring. In this way, centrosymmetric dimers are formed.

| S-EPMC3007570 | biostudies-literature

4-Bromo-anilinium perchlorate 18-crown-6 clathrate.

Project description:The reaction of 4-bromo-aniline, 18-crown-6, and perchloric acid in methanol yields the title compound, C(6)H(7)BrN(+)·ClO(4) (-)·C(12)H(24)O(6), in which the protonated -NH(3) (+) group forms three bifurcated N-H?O hydrogen bonds to the O atoms of the crown ether.

| S-EPMC3009328 | biostudies-literature

Methyl-ammonium tetra-fluoridoborate 18-crown-6 clathrate.

Project description:In the title compound, CH(3)NH(3) (+)·BF(4) (-)·C(12)H(24)O(6), the methyl-ammonium cation makes three N-H?O hydrogen bonds to the 18-crown-6 mol-ecule. The -NH(3) (+) and -CH(3) groups of the cation adopt a staggered conformation. The F atoms of the tetra-fluoridoborate anion are disordered over two sets of sites in a 0.519?(11):0.481?(11) ratio. Weak C-H?F inter-actions occur in the crystal, which possibly correlate with the anion disorder.

| S-EPMC3254558 | biostudies-literature

Dimethyl-ammonium perchlorate 18-crown-6 monohydrate clathrate.

Project description:The reaction of dimethyl-amine, 18-crown-6, and perchloric acid in methanol yields the title compound, C(2)H(8)N(+)·ClO(4) (-)·C(12)H(24)O(6)·H(2)O. The dimethyl-ammonium cation and the water mol-ecule inter-act with the 18-crown-6 unit: N-H⋯O hydrogen bonds are formed between the ammonium NH(2) (+) group and four O atoms of the crown ether, while the water mol-ecule on the other side of 18-crown-6 ring forms O-H⋯O hydrogen bonds with two other O atoms of the crown ether. All conventional donors and acceptors in the cations are thus engaged in hydrogen bonding. The ClO(4) (-) anion is disordered over two sites, and occupancies for the disordered O atoms were fixed at 0.5. In the crystal, the cations and anions are arranged in alternating layers.

| S-EPMC3006918 | biostudies-literature

4-Iodo-anilinium perchlorate 18-crown-6 clathrate.

Project description:In the title compound, C(6)H(7)IN(+)·ClO(4) (-)·C(12)H(24)O(6), the proton-ated 4-iodo-anilinium cation inter-acts with the 18-crown-6 through three N-H⋯O hydrogen bonds, forming a rotator-stator-like structure. The cation, anion and 18-crown-6 mol-ecule all have crystallographically imposed mirror symmetry.

| S-EPMC3052035 | biostudies-literature

4-Methyl-anilinium perchlorate 18-crown-6 clathrate.

Project description:In the title compound, C(7)H(10)N(+)·ClO(4) (-)·C(12)H(24)O(6), the 4-methyl-anilinium cation inter-acts with an 18-crown-6 mol-ecule forming a rotator-stator-like structure through bifurcated N-H⋯(O,O) hydrogen bonds between the ammonium group of the cation and the O atoms of the crown ether mol-ecule. All three components of the structure possess mirror symmetry. The benzene ring is inclined to the mean plane of the crown ether molecule by 86.84 (8)°.

| S-EPMC3254523 | 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