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Synthesis, crystal structure and photophysical properties of bis-[2,6-di-fluoro-3-(pyridin-2-yl)pyridine-κN](tri-fluoro-methane-sulfonato-κO)silver(I).

ABSTRACT: In the title compound, [Ag(CF₃SO₃)(C₁₀H₆F₂N₂)₂], the Ag^I centre adopts a highly distorted trigonal-planar coordination environment resulting from its coordination by one O atom of the tri-fluoro-methane-sulfonate anion and the pyridine N atoms of two crystallographically independent 2',6'-di-fluoro-2,3'-bi-pyridine ligands, which display very similar conformations to one another. Pairwise Ag⋯O-SO₂CF₃ ^- [Ag⋯O = 2.8314 (14) Å] inter-actions and inter-molecular C-H⋯O inter-actions between inversion-related units lead to the formation of an eight-membered cyclic dimer in which the silver atoms are separated by 6.2152 (3) Å. In the crystal, the dimers are linked through C-H⋯O hydrogen bonds, halogen⋯π and weak π-π stacking inter-actions, resulting in the formation of a three-dimensional supra-molecular network. The title compound exhibits a strong and broad emission band from 400 nm to 550 nm in solution and its photoluminescence quantum efficiency is estimated to be ca 0.2, indicating that the title compound could have applications as an emitting material in organic light-emitting diodes (OLEDs).

SUBMITTER: Moon SH

PROVIDER: S-EPMC8647753 | biostudies-literature |

REPOSITORIES: biostudies-literature

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catena-Poly[[silver(I)-?-N-(pyridin-3-ylmeth-yl)pyridine-2-amine-?(2) N:N'] tri-fluoro-methane-sulfonate].

Project description:In the asymmetric unit of the title polymeric complex, {[Ag(C11H11N3)](CF3SO3)} n , there are two Ag(I) atoms, two N-(pyridin-3-ylmeth-yl)pyridine-2-amine ligands (A and B) and two CF3SO3 (-) anions. One Ag(I) atom is coordinated by two pyridine N atoms from two symmetry-related A ligands in a geometry slightly distorted from linear [N-Ag-N = 173.2?(3)°], forming a left-handed helical chain, while the other Ag(I) atom is coordinated by two pyridine N atoms from two symmetry-related B ligands in a bent arrangement [N-Ag-N = 157.1?(3)°], forming a right-handed helical chain. Both helical chains have the same pitch length [10.4007?(7)?Å], propagate along the b-axis direction and are alternately arranged via Ag?Ag [3.0897?(12)?Å] and ?-? stacking inter-actions [centroid-centroid distances = 3.564?(7) and 3.518?(6)?Å], resulting in the formation of a two-dimensional supra-molecular network extending parallel to the ab plane. Inter-molecular N-H?O, C-H?O and C-H?F hydrogen-bonding inter-actions occur between the helical chains and the anions.

| S-EPMC3772439 | biostudies-literature

Aqua-(trifluoro-methane-sulfonato)-bis-(1,3,7-trimethyl-purine-2,6-dione)silver(I).

Project description:In the title compound, [Ag(CF(3)SO(3))(C(8)H(10)N(4)O(2))(2)(H(2)O)], the Ag(I) atom is coordinated by two caffeine N atoms and, at longer distances, two O atoms of a coordinated water mol-ecule and the trifluoro-methane-sulfonate anion, resulting in an AgN(2)O(2) seesaw geometry. The caffeine mol-ecules are roughly coplanar [dihedral angle = 5.81?(5)°]. In the crystal, mol-ecules self-assemble into a linear supra-molecular chain along the c axis via O-H?O hydrogen bonds involving the coordinated water moledcule and carbonyl O atoms. The packing is consolidated by weak C-H?O inter-actions.

| S-EPMC2983140 | biostudies-literature

4,4'-Oxybis(2,6-di-methyl-pyridinium) bis-(tri-fluoro-methane-sulfonate).

Project description:In the asymmetric unit of the title salt, C14H18N2O(2+)·2CF3O3S(-), the components are linked by two N-H?O and one C-H?O hydrogen bonds. The dipyridinium salt demonstrates a skew conformation based upon C-O-C-C torsion angles of 61.5?(3) and 15.1?(4)°. A C-O-C angle of 119.3?(2)° and C-O bond distances of 1.364?(3) and 1.389?(3)?Å are consistent with other dipyridyl ethers. The planes of the pyridyl rings exhibit a twist angle of 67.89?(8)°. One of the tri-fluoro-methane-sulfonate ions shows disorder of the F atoms [in a 0.52?(7):0.48?(7) occupancy ratio] and an O atom [0.64?(8):0.36?(8) occupancy ratio]. In the crystal, the components are linked by C-H?O inter-actions, which form chains along [101].

| S-EPMC3884303 | biostudies-literature

Crystal structure of catena-poly[[silver(I)-?-N-(pyridin-2-ylmeth-yl)pyridine-3-amine-?(2) N:N'] tri-fluoro-methane-sulfonate].

Project description:In the asymmetric unit of the title compound, {[Ag(C11H11N3)]CF3SO3} n , there are two Ag(I) atoms, two N-(pyridine-2-ylmeth-yl)pyridine-3-amine ligands (A and B) and two CF3SO3 (-) anions. Both Ag(I) atoms are bridged by two pyridine N atoms from two symmetry-related A or B ligands, forming right- or left-handed helical chains, respectively. The Ag(I) atom of the right-handed helical chain adopts a slightly distorted linear coordination geometry [N-Ag-N = 170.69?(14)°], while that of the left-handed helical chain adopts a bent geometry [N-Ag-N = 149.42?(14)°]. Both helical chains have the same pitch length [10.8437?(5)?Å], propagate along the b-axial direction and are alternately arranged via Ag?Ag [3.0814?(5)?Å] and ?-? stacking inter-actions [centroid-centroid distances = 3.514?(3) and 3.487?(3)?Å], resulting in the formation of a two-dimensional supra-molecular network extending parallel to the ab plane. Weak Ag?O [2.861?(4), 2.617?(3), and 2.624?(4)?Å] and Ag?F [3.017?(3)?Å] inter-actions as well as N-H?O and C-H?O, C-H?N and C-H?F hydrogen-bonding inter-actions occur between the helical chains and the anions.

| S-EPMC4257320 | biostudies-other

Crystal structure of tetra-kis-(tetra-hydro-furan-κO)bis-(tri-fluoro-methane-sulfonato-κO)iron(II).

Project description:The title compound, [Fe(CF3SO3)2(C4H8O)4], is octa-hedral with two tri-fluoro-methane-sulfonate ligands in trans positions and four tetra-hydro-furane mol-ecules in the equatorial plane. By the conformation of the ligands the complex is chiral in the crystal packing. The compound crystallizes in the Sohncke space group P212121 and is enanti-omerically pure. The packing of the mol-ecules is determined by weak C-H⋯O hydrogen bonds. The crystal studied was refined as a two-component inversion twin.

| S-EPMC6775732 | biostudies-literature

Di-?-acetato-?(4) O:O'-bis-[(1,10-phenanthroline-?(2) N,N')(tri-fluoro-methane-sulfonato-?O)copper(II)].

Project description:The complete molecule of the title compound, [Cu2(C2H3O2)2(CF3O3S)2(C12H8N2)2], is completed by the application of a twofold rotation and comprises two Cu(II) ions, each of which is penta-coordinated by two N atoms from a bidentate 1,10-phenanthroline (phen) ligand, two O atoms from acetate ligands and an O atom from a tri-fluoro-methane-sulfonate anion, forming a (4 + 1) distorted square-pyramidal coordination geometry. The Cu(II) ions are connected by two acetate bridges in a syn-syn configuration. The F atoms of the tri-fluoro-methane-sulfonate ligands are disordered, with site-occupation factors of 70 and 30. The molecular structure is stabilized by intra-molecular face-to-face ?-? inter-actions with centroid-centroid distances in the range 3.5654?(12)-3.8775(12)?Å. The crystal structure is stabilized by C-H?O interactions, leading to a three-dimensional lattice structure.

| S-EPMC3884252 | biostudies-literature

Crystal structure of (2,2'-bipyrid-yl)[2,6-bis-(1-butyl-1H-benzimidazol-2-yl)pyridine]-chlorido-iridium(III) tri-fluoro-methane-sulfonate.

Project description:The title complex compound, [Ir(C27H29N5)Cl(C10H8N2)](CF3SO3)2, was synthesized for a study of iridium(III)/periodate redox systems in water. The coordination geometry of the complex can be best described as distorted octa-hedral, with an r.m.s. deviation of 8.8?(8)% from ideal octa-hedral rectangular geometry. In the crystal, C-H?O and C-H?F inter-actions between the complex cation and the tri-fluoro-methane-sulfonate anions are observed, as well as a C-H?Cl inter-molecular inter-action between neighboring complex cations. In addition, the benzimidazole ring systems display parallel-displaced ?-? stacking with centroid-centroid distances of 3.585?(3)-3.907?(3)?Å. One of the two tri-fluoro-methane-sulfonate anions is disordered over two orientations with an occupancy ratio of 0.582?(6):0.418?(6). The title complex was characterized using FT-IR, cyclic voltammetry/rotating disc electrode polarography, fluorescence spectrometry, high resolution mass spectrometry, CHN elemental analysis and 1H NMR spectroscopy.

| S-EPMC5290549 | biostudies-literature

Crystal structure of mer-tris-{2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl-κN]pyridin-4-yl-κC4}iridium(III) di-chloro-methane hemisolvate n-hexane hemisolvate.

Project description:The asymmetric unit of the title compound, [Ir(C17H11F2N2)3]·0.5CH3(CH2)4CH3·0.5CH2Cl2, comprises one IrIII atom, three 2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl]pyridin-4-yl ligands and half each of an n-hexane and a di-chloro-methane solvent mol-ecule located about crystallographic inversion centres. The IrIII atom displays a distorted octa-hedral coordination geometry, having three C,N-chelating 2,6-di-fluoro-3-[5-(2-fluoro-phen-yl)pyridin-2-yl]pyridin-4-yl ligands arranged in a meridional manner. The IrIII ion lies almost in the equatorial plane [deviation = 0.0069 (15) Å]. The average distance [2.041 (3) Å] of Ir-C bonds is slightly shorter than that [2.076 (3) Å] of Ir-N bonds. A variety of intra- and inter-molecular C-H⋯F and C-H⋯π hydrogen bonds, as well as inter-molecular C-F⋯π inter-actions, contribute to the stabilization of the mol-ecular and crystal structures, and result in the formation of a two-dimensional network parallel to the ab plane. No inter-actions between n-hexane solvent mol-ecules and the other components in the title compound are observed.

| S-EPMC5730259 | biostudies-literature

Crystal structure of bis-(acetyl-acetonato-?(2) O,O')(tetra-hydro-furan-?O)(tri-fluoro-methane-sulfonato-?O)iron(III).

Project description:The mononuclear title complex, [Fe(CF3O3S)(C5H7O2)2(C4H8O)] or [Fe(acac)2(OTf)(THF)] (acac = acetyl-acetonate; OTf = tri-fluoro-methane-sulfon-ate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe(3+) atom in a slightly distorted octa-hedral environment [Fe-O bond-length range = 1.9517?(11)-2.0781?(11)?Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622?(16):0.378?(16). Weak inter-molecular C-H?O and C-H?F hydrogen-bonding inter-actions generate a two-dimensional supra-molecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis-(acetyl-acetonato)iron(III) complex.

| S-EPMC4647377 | biostudies-literature

Poly[(?(4)-5-bromo-pyridine-3-sulfonato)-silver(I)].

Project description:The silver(I) complex, [Ag(C(5)H(3)BrNO(3)S)](n), was obtained by reaction of AgNO(3) and 5-bromopyridine-3-sulfonic acid. The Ag(I) ion is coordinated by an O(3)N donor set in a slightly distorted tetra-hedral geometry. The Ag(I) ions are linked by ?(4)-5-bromo-pyridine-3-sulfonate ligands, forming a layer parallel to (100). The layers are further connected via C-H?Br hydrogen-bonding inter-actions into a three-dimensional supra-molecular network. The Ag?Ag separation is 3.0159?(6)?Å, indicating the presence of argentophilic inter-actions.

| S-EPMC3274848 | biostudies-other

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