Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Hydrogen bis-[2-(4-ammonio-phen-oxy)acetate] triiodide.

ABSTRACT: In the title compound, C(16)H(19)N(2)O(6) (+)·I(3) (-), the carboxyl-ate groups of a pair of (4-amino-phen-oxy) acetate ligands are bridged by an H atom in a rather classical configuration. The H atom is located on an inversion center and the pair of carboxyl-ate groups are centrosymmetrically related with an O⋯O distance of 2.494 (5) Å. The I(3) (-) anion is also located on an inversion center. In the crystal, N-H⋯O and N-H⋯I hydrogen-bond inter-actions build up a three-dimensionnal network.

SUBMITTER: Wang WX

PROVIDER: S-EPMC3006981 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Crystal structure of potassium hydrogen bis-((<i>E</i>)-2-{4-[3-(thio-phen-3-yl)acrylo-yl]phen-oxy}acetate).

Project description:The synthesis and spectroscopic data of (E)-2-{4-[3-(thio-phen-3-yl)acrylo-yl]phen-oxy}acetic acid are described. Crystallization from an ethanol-water mixture resulted in the title compound, C30H23KO8S2 or [K(C15H11O4S)(C15H12O4S)] n , containing one mol-ecule of the acid and one mol-ecule of the potassium salt in the asymmetric unit. Both mol-ecules share the H atom between their carboxyl groups and a potassium ion. The C=C bonds display an E configuration. The thio-phene and phenyl rings in the two mol-ecules are inclined by 43.3 (2) and 22.7 (2)°. The potassium ion is octa-hedrally coordinated by six O atoms. This distorted octa-hedron shares on opposite sides two oxygen atoms with inversion-related octa-hedra, resulting in chains of octa-hedra running in the [010] direction, which form ladder-like chains by C-H⋯π inter-actions. A Hirshfeld surface analysis indicates that the highest contributions to the surface contacts arise from inter-actions in which H atoms are involved, with the most important contribution being from H⋯H (31.6 and 31.9% for the two mol-ecules) inter-actions.

| S-EPMC8183452 | biostudies-literature

Ethyl 2-(4-nitro-phen-oxy)acetate.

Project description:In the title mol-ecule, C(10)H(11)NO(5), the methyl C atom deviates by 0.830 (6) Å from the mean plane of the remaining non-H atoms. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

| S-EPMC3344636 | biostudies-literature

4,5-Bis(4-meth-oxy-phen-oxy)phthalonitrile.

Project description:The title compound, C(22)H(16)N(2)O(4), was obtained unintentionally as the product of an attempted synthesis of a new phthalocyanine. The dihedral angles formed by the central benzene ring with the aromatic rings of the meth-oxy-phen-oxy groups are 85.39?(5) and 64.19?(5)°.

| S-EPMC2983375 | biostudies-literature

1,2-Bis(4-meth-oxy-phen-oxy)ethane.

Project description:The whole mol-ecule of the title compound, C16H18O4, is generated by twofold rotational symmetry; the twofold axis bis-ects the central C-C bond. The O-C-C-O torsion angle about the central C-C bond is 69.45 (16)°. Symmetry-related benzene rings are inclined to one another by 64.91 (8)°. In the crystal, mol-ecules are connected by C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3629599 | biostudies-literature

Bis[?-4-(4-carb-oxy-phen-oxy)phthalato]bis-[triaqua-nickel(II)].

Project description:In the centrosymmetric binuclear title compound, [Ni(2)(C(15)H(8)O(7))(2)(H(2)O)(6)], the Ni(II) ion is in a distorted octa-hedral coordination geometry with O(6) donors, three from three water mol-ecules, the others from three carboxylate groups of two ligands. Extensive O-H?O hydrogen bonding connects the mol-ecules into a three-dimensional supra-molecular structure.

| S-EPMC3050356 | biostudies-literature

Benzimidazolium 2-(2,4-dichloro-phen-oxy)acetate monohydrate.

Project description:In the crystal of the title hydrated mol-ecular salt, C(7)H(7)N(2) (+)·C(8)H(5)Cl(2)O(3)·H(2)O, the components inter-act by way of N-H?O and O-H?O hydrogen bonds, leading to chains propagating in [100].

| S-EPMC2972003 | biostudies-literature

Ammonium 2-(2,4-dichloro-phen-oxy)acetate hemihydrate.

Project description:The title compound, NH(4) (+)·C(8)H(7)Cl(2)O(6) (-)·0.5H(2)O, was prepared by the reaction of 2-(2,4-dichloro-phen-oxy)-acetic acid and ammonia in water at 367?K. The mol-ecular structure and packing are stabilized by N-H?O and O-H?O inter-molecular hydrogen-bond inter-actions.

| S-EPMC2977423 | biostudies-literature

tert-Butyl 2-(4-nitro-phen-oxy)acetate.

Project description:In the title mol-ecule, C(12)H(15)NO(5), the nitro-phen-oxy portion is approximately planar (r.m.s. deviation = 0.034 Å) and makes an angle of 84.8 (1)° with respect to the -CH(2)-C(=O)-O-C fragment. In the crystal, π-π stacking is observed between nearly parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.6806 (10) Å. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3051522 | biostudies-literature

1,3-Bis(2,6-diisopropyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium triiodide.

Project description:In the crystal structure of the title compound, C(27)H(39)N(2) (+)·I(3) (-), the imidazolidinium ring is perpendicular to a mirror plane which bis-ects the cation. The dihedral angle between the imidazolidinium ring and the benzene ring is 89.0?(2)°. The triiodide anion also lies on a mirror plane and is almost linear with an I-I-I bond angle of 178.309?(18)°.

| S-EPMC3011707 | biostudies-literature

Bis[4-(3-amino-phen-oxy)phen-yl] ketone.

Project description:In the mol-ecule of the title compound, C(25)H(20)N(2)O(3), the dihedral angles formed by adjacent benzene rings are 66.75?(8), 48.37?(8) and 71.43?(9)°. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2977108 | 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