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

ABSTRACT: The central Ag^I 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.

SUBMITTER: Adrian RA

PROVIDER: S-EPMC9462304 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature

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

Adrian Rafael A RA Ibarra Sara J SJ Arman Hadi D HD

IUCrData 20211021 Pt 10

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 IN ...[more]

PMID: 36340985

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Crystal structure of bis-(isonicotinamide-κN (1))bis-(thio-cyanato-κN)zinc.

Project description:The asymmetric unit of the title complex, [Zn(SCN)2(C6H6N2O)2], consists of one Zn(2+) cation located on a twofold rotation axis, as well as of one thio-cyanate anion and one neutral isonicotinamide ligand, both occupying general positions. The Zn(2+) cation is tetra-hedrally coordinated into a discrete complex by the N atoms of two symmetry-related thio-cyanate anions and by the pyridine N atoms of two isonicotinamide ligands. The complexes are linked by inter-molecular C-H⋯O and N-H⋯O, and weak inter-molecular N-H⋯S hydrogen-bonding inter-actions into a three-dimensional network.

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Crystal structure of tetra-kis-(isonicotinamide-κN)bis-(thio-cyanato-κN)cobalt(II)-isonicotinamide-ethanol (1/2/1).

Project description:The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H5OH, comprises one Co(II) cation, two thio-cyanate anions, four coordinating and two solvent isonicotinamide molecules and one ethanol solvent mol-ecule. The Co(II) cations are octa-hedrally coordinated by four N-coordinating isonicotinamide ligands and two terminally N-bonded thio-cyanate anions. These discrete complexes are linked by inter-molecular N-H⋯O and N-H⋯S hydrogen-bonding inter-actions into a three-dimensional network. The two isonicotinamide and the ethanol solvent mol-ecules are embedded in channels of this network and are linked through further N-H⋯O and N-H⋯N hydrogen bonds to the network. The ethanol solvent mol-ecule is disordered over two sets of sites (occupancy ratio 0.6:0.4).

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Bis(isonicotinamide-κN)bis-[4-(methyl-amino)benzoato]zinc(II) monohydrate.

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Bis(isonicotinamide-κN)bis-(4-methyl-benzoato-κO)copper(II) dihydrate.

Project description:In the centrosymmetric title compound, [Cu(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)]·2H(2)O, the Cu(II) ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 4-methyl-benzoate anion, one isonicotinamide (INA) ligand and one uncoordinated water mol-ecule; all the ligands are monodentate. The two O and the two N atoms around the Cu(II) ion form a slightly distorted square-planar arrangement. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 13.86 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 86.08 (5)°. The uncoordinated water mol-ecules are linked to the INA ligands by O-H⋯O hydrogen bonds. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

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Bis(μ-cobaltoceniumselenolate-1:2κ2Se:Se)bis[bis(cobaltoceniumselenolate-κSe)mercury(II)] tetrakis(hexafluoridophosphate) acetonitrile disolvate

Project description:The cation in the title salt has a bitetrahedral {Hg2Se6} core. The title compound, [Co6Hg2(C5H5)6(C5H4Se)6](PF6)4·2CH3CN or [Hg2(CcSe)6][PF6]4·2CH3CN (Cc = C10H9Co), was obtained as bright-orange needle-shaped crystals. It is a salt containing a tetracationic dimercury species with six cobaltoceniumselenolate ligands, four hexafluoridophosphate counter-ions and two acetonitrile solvent molecules. The cation (point group

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Tetra-aqua-bis(isonicotinamide-κN)cobalt(II) bis-(4-formyl-benzoate) dihydrate.

Project description:The asymmetric unit of the crystal structure of the title complex, [Co(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Co(II) ion located on an inversion center, a 4-formyl-benzoate (FB) counter-anion and an uncoordinated water mol-ecule. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement with an average Co-O bond length of 2.086 Å; the slightly distorted octa-hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a slightly longer distance [2.1603 (14) Å] in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 5.93 (13)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.09 (6)°. In the crystal structure, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.758 (1) Å] may further stabilize the crystal structure.

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Tetra-aqua-bis(isonicotinamide-κN)nickel(II) bis-(4-formyl-benzoate) dihydrate.

Project description:The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formyl-benzoate (FB) counter-anion and an uncoordinated water mol-ecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa-hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.751 (1) Å] may further stabilize the crystal structure.

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Aqua-bis(4-formyl-benzoato-κO,O)bis-(isonicotinamide-κN)cadmium(II) monohydrate.

Project description:The asymmetric unit of the title Cd(II) complex, [Cd(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, contains two 4-formyl-benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol-ecule; the FB ions act as bidentate ligands. The coordination number of the Cd(II) atom is seven within a CdO(5)N(2) donor set. Intra-molecular O-H⋯O hydrogen bonds link the uncoordinated water mol-ecules to the carboxyl groups. The dihedral angle between the carboxyl-ate groups and the adjacent benzene rings are 17.53 (13) and 16.55 (14)°. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules into a supra-molecular structure. The amide group of one of the INA ligands is disordered over two orientations, with an occupancy ratio of 0.759 (3):0.241 (3).

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Diaqua-bis[4-(dimethyl-amino)benzoato-κO](isonicotinamide-κN)manganese(II).

Project description:The title Mn(II) complex, [Mn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-(dimethylamino)benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water mol-ecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Mn atom form a highly distorted square-planar arrangement, while the distorted octa-hedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water mol-ecule in the axial positions. In the crystal structure, strong inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (010). Two weak C-H⋯π inter-actions are also found.

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Aqua-bis(isonicotinamide-κN)bis-(4-methyl-benzoato)-κO;κO,O'-cadmium(II) monohydrate.

Project description:In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methyl-benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol-ecule in a distorted octa-hedral CdN(2)O(4) geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O-H⋯O hydrogen bond links the uncoordinated water mol-ecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28 (11) and 21.24 (9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)°, respectively. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a supra-molecular structure. A π-π contact between the benzene rings [centroid-centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C-H⋯π inter-actions involving the pyridine rings also occur in the crystal structure.

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