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1-(2-Methyl-phen-yl)-4,4'-bipyridin-1-ium tetra-fluorido-borate.

ABSTRACT: Crystals of the title compound, C₁₇H₁₅N₂ ⁺·BF₄ ^-, were unexpectedly grown from crystallization attempts of [Pt(4,4'-bpy)₄](BF₄)₂ [Smith et al. (2019 ▸). Comments Inorg. Chem. 39, 188-215] using toluene and aceto-nitrile. The tetra-fluoro-borate anion and the central pyridinium ring of the cation are disordered, with atomic site occupancies close to ½. The tolyl group of the cation has a 75.31 (11)° twist relative to the unsubstituted pyridyl group. This rotation allows for a centrosymmetric dimer of cations with weak hydrogen bonding between the pyridyl nitro-gen atom and a methyl H atom on the neighbouring cation.

SUBMITTER: Welton CE

PROVIDER: S-EPMC9462016 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature

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1-(2-Methyl-phen-yl)-4,4'-bipyridin-1-ium tetra-fluorido-borate.

Welton Claire E CE Nesterov Vladimir N VN Smucker Bradley W BW

IUCrData 20220310 Pt 3

Crystals of the title compound, C17H15N2 +·BF4 -, were unexpectedly grown from crystallization attempts of [Pt(4,4'-bpy)4](BF4)2 [Smith et al. (2019 ▸). Comments Inorg. Chem. 39, 188-215] using toluene and aceto-nitrile. The tetra-fluoro-borate anion and the central pyridinium ring of the cation are disordered, with atomic site occupancies close to ½. The tolyl group of the cat ...[more]

PMID: 36339800

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1,1'-Methyl-enebis(4,4'-bipyridin-1-ium) dibromide.

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Crystal structure of poly[[μ3-4,4'-(4,4'-bipyridine-2,6-diyl)dibenzoato]{μ2-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-4'-ium-2-yl]benzoato}manganese(II)] hemi-hydrate].

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2,2'-Bipyridin-1'-ium 1-oxide bromide monohydrate.

Project description:The title compound 2,2'-bipyridin-1'-ium 1-oxide bromide crystallizes as a monohydrate, C10H9N2+·Br-·H2O. Structural disorder is observed due to the fact that protonation, as well as oxidation, of the N atoms of 2,2'-bi-pyridine occurs at either of the N atoms. The disorder extends to the remainder of the cation, with a refined occupancy rate of 0.717 (4) for the major moiety. An intra-molecular N-H⋯O hydrogen bond forces the bi-pyridine unit into an s-cis conformation. Each pair of neighbouring 2,2'-bipyridin-1'-ium ions forms a dimeric aggregate by hydrogen bonds between their respective N-O and the N-H functions. These dimers and hydrogen-bonding inter-actions with bromide ions and the water mol-ecule give rise to a complex supra-molecular arrangement.

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2,2'-Bipyridin-1-ium 3-nitro-benzene-sulfonate.

Project description:In the title compound, C(10)H(9)N(2) (+)·C(6)H(4)NO(5)S(-), the dihedral angle between the aromatic rings of the cation is 9.42 (7)°. In the crystal, the anions and cations are linked by C-H⋯O and N-H⋯O hydrogen bonds, generating R(2) (1)(5) and R(4) (4)(14) rings, respectively. These hydrogen bonds also provide packing along [110].

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6,6'-Dimethyl-2,2'-bipyridin-1-ium tetra-chloridoaurate(III).

Project description:In the anion of the title compound, (C(12)H(13)N(2))[AuCl(4)], the Au(III) atom has a square-planar coordination. In the crystal, inter-molecular N-H⋯Cl and C-H⋯Cl hydrogen bonds and π-π contacts between the pyridine rings [centroid-centroid distance = 3.5419 (19) Å] result in the formation of a supra-molecular structure.

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Bis(1-ethyl-4,4'-bipyridin-1-ium) bis-(1,2-di-cyano-ethene-1,2-di-thiol-ato-κ(2) S,S')nickelate(II).

Project description:In the anion of the title compound, (C12H13N2)[Ni(C4N2S2)2], the Ni(II) atom is coordinated by four S atoms from two 1,2-di-cyano-ethene-1,2-di-thiol-ate (mnt) ligands in a suqare-planar geometry. Weak C-H⋯N and C-H⋯S hydrogen bonds between the 1-ethyl-4,4'-bipyridin-1-ium cations and mnt anions and weak π-π inter-actions between the pyridine rings of the cations [centroid-centroid distances = 3.808 (3) and 3.972 (3) Å] lead to a two-dimensional network parallel to (010).

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Tetra-aqua-bis-[1-(3-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium-κN]zinc bis-(4,5-carb-oxy-benzene-1,2-dicarboxyl-ate) 2.5-hydrate.

Project description:In the complex cation of the title compound, [Zn(C(17)H(13)N(2)O(2))(2)(H(2)O)(4)](C(10)H(4)O(8))(2)·2.5H(2)O, the Zn(II) atom, lying on an inversion center, is coordinated by two N atoms from two N-(3-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium ligands and four water mol-ecules in a distorted octa-hedral geometry. The pyromellitate anion is double deprotonated. O-H⋯O and C-H⋯O hydrogen bonds connect the cations, anions and uncoordinated water mol-ecules into a three-dimensional supra-molecular network. One of the two lattice water molecules shows an occupancy of 0.25. An intra-molecular O-H⋯O hydrogen bond is present in the anion.

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Crystal structures of 2,2'-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide and bis(2,2'-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide.

Project description:In 2,2'-bipyridin-1-ium 1,1,3,3-tetra-cyano-2-eth-oxy-prop-2-en-1-ide, C10H9N2 (+)·C9H5N4O(-), (I), the ethyl group in the anion is disordered over two sets of atomic sites with occupancies 0.634 (9) and 0.366 (9), and the dihedral angle between the ring planes in the cation is 2.11 (7)°. The two independent C(CN)2 groups in the anion make dihedral angles of 10.60 (6) and 12.44 (4)° with the central propenide unit, and the bond distances in the anion provide evidence for extensive electronic delocalization. In bis-(2,2'-bipyridin-1-ium) 1,1,3,3-tetra-cyano-2-(di-cyano-methyl-ene)propane-1,3-diide [alternative name bis-(2,2'-bipyridin-1-ium) tris-(di-cyano-methyl-ene)methane-diide], 2C10H9N2 (+)·C10N6 (2-) (II), the dihedral angles between the ring planes in the two independent cations are 7.7 (2) and 10.92 (17)°. The anion exhibits approximate C 3 symmetry, consistent with extensive electronic delocalization, and the three independent C(CN)2 groups make dihedral angles of 23.8 (2), 27.0 (3) and 27.4 (2)° with the central plane. The ions in (I) are linked by an N-H⋯N hydrogen bond and the resulting ion pairs are linked by two independent C-H⋯N hydrogen bonds, forming a ribbon containing alternating R 4 (4)(18) and R 4 (4)(26) rings, where both ring types are centrosymmetric. The ions in (II) are linked by two independent N-H⋯N hydrogen bonds and the resulting ion triplets are linked by a C-H⋯N hydrogen bond, forming a C 2 (1)(7) chain containing anions and only one type of cation, with the other cation linked to the chain by a further C-H⋯N hydrogen bond.

| S-EPMC4420140 | biostudies-literature

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