Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

A polymorph of tetra-ethyl-ammonium chloride.

ABSTRACT: The structure of the title compound, C(8)H(20)N(+)·Cl(-), is compared with a polymorph that was described earlier in the same space group. Differences in the conformations of the ethyl groups of the cation exist between the polymorphs. This study is given here in order to provide additional unit-cell data for use in qualitative identification of crystalline samples obtained in syntheses in which Et(4)N(+)·Cl(-) is either used or generated.

SUBMITTER: Yan Y

PROVIDER: S-EPMC2969402 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

A polymorph of tetra-ethyl-ammonium chloride.

Yan Yong Y Mague Joel T JT Donahue James P JP

Acta crystallographica. Section E, Structure reports online 20090606 Pt 7

The structure of the title compound, C(8)H(20)N(+)·Cl(-), is compared with a polymorph that was described earlier in the same space group. Differences in the conformations of the ethyl groups of the cation exist between the polymorphs. This study is given here in order to provide additional unit-cell data for use in qualitative identification of crystalline samples obtained in syntheses in which Et(4)N(+)·Cl(-) is either used or generated. ...[more]

PMID: 21582792

Similar Datasets

Crystal structure of tetra-ethyl-ammonium chloride 3,4,5,6-tetra-fluoro-1,2-di-iodo-benzene.

Project description:Equimolar qu-anti-ties of tetra-ethyl-ammonium chloride (Et4NCl) and 3,4,5,6-tetra-fluoro-1,2-di-iodo-benzene (o-DITFB or o-C6F4I2) have been co-crystallized in a solution of di-chloro-methane yielding a pure halogen-bonded compound, 3,4,5,6-tetra-fluoro-1,2-di-iodo-benzene-tetra-ethyl ammonium chloride (2/1), Et4N(+)·Cl(-)·2C6F4I2, in the form of translucent needles. [(Et4NCl)(o-C6F4I2)2] packs in the C2/c space group. The asymmetric unit includes one mol-ecule of DITFB, one Et4N(+) cation located on a twofold rotation axis, and one chloride anion also located on a twofold rotation symmetry axis. This compound has an inter-esting halogen-bonding environment surrounding the halide. Here, the chloride anion acts as a tetra-dentate halogen bond acceptor and forms a distorted square-pyramidal geometry, with I?Cl(-)?I angles of 80.891?(6) and 78.811?(11)°, where two crystallographically distinct iodine atoms form halogen bonds with the chloride anion. Resulting from that square-pyramidal geometry are short contacts between some of the adjacent F atoms. Along the b axis, the halogen-bonding inter-action results in a polymeric network, producing a sheet in which the two closest chloride ions are 7.8931?(6)?Å apart. The Et4N(+) cation alternates in columns with the halide ion. The expected short contacts (shorter than the sum of their van der Waals radii) are observed for the halogen bonds [3.2191?(2) and 3.2968?(2)?Å], as well as almost linear angles [170.953?(6) and 173.529?(6)°].

| S-EPMC4420113 | biostudies-literature

Tetra-ethyl-ammonium bicarbonate trihydrate.

Project description:In the title compound, C(8)H(20)N(+)·CHO(3) (-)·3H(2)O, the bicarbon-ate anion, which has a small mean deviation from the plane of 0.0014?Å, fully utilises its three O and one H atom to form various O-H?O hydrogen bonds with the three water mol-ecules in the asymmetric unit, generating a hydrogen-bonded layer, which extends along (10[Formula: see text]). The tetra-ethyl-ammonium cations, as the guest species, are accommodated between every two neighboring layers, constructing a sandwich-like structure with an inter-layer distance of 7.28?Å.

| S-EPMC3213447 | biostudies-literature

Tetra-ethyl-ammonium l-tartarate dihydrate.

Project description:In the crystal structure of the title compound, C(8)H(20)N(+)·C(4)H(5)O(6) (-)·2H(2)O, the ions and water mol-ecules are linked via O-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to (001).

| S-EPMC2960025 | biostudies-literature

Ammonium tris-(tetra-ethyl-ammonium) hexa-cosa-oxidoocta-molybdate.

Project description:The structure of the title compound, NH(4)(C(8)H(20)N)(3)[Mo(8)O(26)], is built up by discrete cations and anions, with two formula units in the asymmetric unit. The ?-octa-molybdate anions are linked to the ammonium cations via N-H?O hydrogen bonding involving terminal oxide groups and to the tetra-ethyl-ammonium cations via weak C-H?O inter-actions.

| S-EPMC2960748 | biostudies-literature

Bis(tribenzyl-ammonium) tetra-chloridoaurate(III) chloride.

Project description:In the title compound, (C(21)H(22)N)(2)[AuCl(4)]Cl, the Au(III) atom adopts a square-planar coordination geometry defined by four chloride ions. In the crystal structure, inter-molecular N-H⋯Cl hydrogen bonds link the organic cations and the uncoordinated chloride ion.

| S-EPMC2979940 | biostudies-literature

Tetra-ethyl-ammonium l-malate 1.36-hydrate.

Project description:The asymmetric unit of the title compound, C(8)H(20)N(+)·C(4)H(5)O(5) (-)·1.36H(2)O, contains two independent ion pairs, with similar conformations, and three water mol-ecules of crystallization, one water mol-ecule haing a site-occupancy factor of 0.721 (5). Intra-molecular O-H⋯O hydrogen bonds, involving the hydr-oxy groups and an O atom of each carboxyl-ate anion, generate five-membered rings involving S(5) ring motifs. In the crystal structure, mol-ecules are linked together by water mol-ecules through four-membered O-H⋯O-H⋯O-H inter-actions to form one-dimensional infinite chains along the a axis. Since the mol-ecules are also linked into one-dimensional infinite chains along the b axis, mol-ecular sheets parallel to the (001) plane are created. Overall, the crystal structure is stabilized by two intra-molecular O-H⋯O hydrogen bonds, nine inter-molecular O-H⋯O and ten C-H⋯O hydrogen bonds.

| S-EPMC2967964 | biostudies-literature

1,1,3,3-Tetra-ethyl-isoindolin-2-ium chloride.

Project description:In the title compound, C(16)H(26)N(+)·Cl(-), the cations and anions form discrete centrosymetric cyclic dimers through N-H?Cl hydrogen-bonding associations with graph-set R(4) (2)(8).

| S-EPMC3295450 | biostudies-literature

Bis(2-phenyl-ethyl-ammonium) tetra-chloridocobaltate(II).

Project description:Crystals of the title compound, (C(6)H(5)CH(2)CH(2)NH(3))(2)[CoCl(4)], were grown by the solvent-evaporation method. This inorganic-organic hybrid compound exhibits a layered structure in which isolated CoCl(4) inorganic layers alternate with bilayers of phenylethylammonium cations. Although the inorganic anion is zero-dimensional, the layered structure is stabilized via N-H?Cl hydrogen bonds. The CoCl(4) tetra-hedra connect to the cations through N-H?Cl hydrogen bonds, building a two-dimensional network extending parallel to (010).

| S-EPMC3089155 | biostudies-literature

Tetra-ethyl-ammonium (acetyl-acetonato)bromidotricarbonyl-rhenate(I).

Project description:In the title compound, (C(8)H(20)N)[ReBr(C(5)H(7)O(2))(CO)(3)], the Re(I) atom in the rhenate anion is surrounded by three carbonyl ligands orientated in a facial arrangement, a bromide ligand and an acetyl-acetonate ligand, leading to a distorted octa-hedral ReC(3)BrO(2) coordination with a O-Re-O bite angle of 85.66?(7)°. An array of C-H?O and C-H?Br hydrogen-bonding inter-actions between the cations and the surrounding rhenate anions stabilize the crystal structure.

| S-EPMC3050364 | biostudies-literature

Tetra-ethyl-ammonium 4-hy-droxy-benzoate monohydrate.

Project description:In the title compound, C(8)H(20)N(+)·C(7)H(5)O(3) (-)·H(2)O, the carboxyl-ate group is slightly out of the plane of the parent benzene ring, the C-C-C-O torsion angles being 2.3?(2) and 2.0?(2)°. The carboxyl-ate group and the hy-droxy group form O-H?O hydrogen bonds, generating a head-to-tail chain along the b axis. Neighbouring hydrogen-bonded chains are linked by the water mol-ecule, generating two independent O-H?O donor hydrogen bonds. The carboxyl-ate group thus constructs a hydrogen-bonded host layer parallel to (10[Formula: see text]). The tetra-ethyl-ammonium cation is contained between these layers, forming a sandwich-like structure with an approximate inter-layer distance of 10.03?Å.

| S-EPMC3152065 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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