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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)-μ-N-(pyridin-3-ylmeth-yl)pyridine-2-amine-κ(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 π-π 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

Bis(isonicotinamide-κN)silver(I) tri-fluoro-methane-sulfonate aceto-nitrile disolvate.

Project description:The central AgI atom of the title salt, [Ag(INAM)2](CF3SO3)·2CH3CN, where INAM is isonicotinamide (C6H6N2O), is twofold coordinated by the pyridine N atoms of two isonicotinamide ligands creating a slightly distorted linear mol-ecular geometry. The formation of polymeric chains {[Ag(INAM)2]+} n , held together by discrete hydrogen bonds through the amide group of the INAM ligand leaves voids for non-coordinating aceto-nitrile mol-ecules that inter-act the silver metal center via regium bonds.

| S-EPMC9462304 | 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

Crystal structure of bis-(acetyl-acetonato-κ(2) O,O')(tetra-hydro-furan-κO)(tri-fluoro-methane-sulfonato-κO)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

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

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

Diaceto-nitrile-(2,2'-bi-pyridine-κ2 N,N')palladium(II) bis-(tri-fluoro-methane-sulfonate).

Project description:In the title complex, [Pd(C10H8N2)(CH3CN)2](CF3SO3)2 or [Pd(bipy)(CH3CN)2](CF3SO3)2, the palladium(II) ion is fourfold coordinated by two aceto-nitrile mol-ecules and a bidentate 2,2'-bi-pyridine ligand in a distorted square-planar geometry.

| S-EPMC9815130 | biostudies-literature

{2,6-Bis[(pyridin-2-yl)sulfanylmeth-yl]pyridine-κ(2) N,N'}(η(3)-prop-2-en-yl)palladium(II) hexa-fluoro-phosphate.

Project description:The title compound, [Pd(C3H5)(C17H15N3S2)]PF6, is built up by a [(η(3)-all-yl)Pd](2+) fragment coordinated by a 2,6-bis-[(pyridin-2-yl)sulfanylmeth-yl]pyridine ligand coordinated through the N atoms. One of the S atoms is at a close distance to the metal centeratom [3.2930 (8) Å]. The Pd(II) atom is tetra-coordinated in a strongly distorted square-planar environment mainly determined by the η(3)-allyl anion in which the central C atom is disordered over two equally occupied positions. The crystal packing is very compact and is characterized by a three-dimensional network of C-H⋯F interactions between the F atoms of each anion and several H atoms of the surrounding cationic complexes.

| S-EPMC3998576 | biostudies-literature

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

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