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[5,10,15,20-Tetra-kis(4-tol-yl)porphyrin]zinc(II) dichloro-methane solvate.

ABSTRACT: In the title complex, [Zn(C(48)H(36)N(4))]·CH(2)Cl(2), the Zn(II) atom lies on an inversion center and the dichloro-methane solvent mol-ecule is disordered around an inversion center. The tolyl substituents are twisted compared to the central aromatic ring system of the porphyrin, similar to what is seen in previously published structures of this molecule [Dastidar & Goldberg (1996 ▶). Acta Cryst. C52, 1976-1980]. The dihedral angles between the mean planes of the tolyl rings and the central ring are 66.98 (6) and 60.40 (6)°.

SUBMITTER: McGill S

PROVIDER: S-EPMC3006952 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Chloridonitros-yl[meso-5,10,15,20-tetra-kis-(p-tol-yl)porphyrinato-κN,N',N'',N''']osmium(II) tetra-hydro-furan tetra-solvate.

Project description:The title compound, [OsCl(NO)(C(48)H(36)N(4))]·4C(4)H(8)O, is a six-coordinate osmium(II) porphyrin complex with nitrosyl (NO) and chloride (Cl) ligands trans to each other in an octa-hedral geometry. The metal complex lies on a fourfold rotation axis that passes through the Os, N, O and Cl atoms. The NO and Cl ligands are disordered in an 0.511 (12):0.486 (12) ratio.

| S-EPMC3051540 | biostudies-literature

5,10,15,20-Tetra-kis(3,5-difluoro-phen-yl)porphyrin.

Project description:The crystal structure of the title compound, C(44)H(22)F(8)N(4), shows an unusual non-planar geometry of the porphyrin ring although the mol-ecule is free of steric crowding around the periphery of the macrocycle. The mol-ecular packing exhibits weak inter-molecular hydrogen bonding (C-H⋯F) and C-H⋯π inter-actions. The molecular symmetry is .

| S-EPMC2915253 | biostudies-literature

[5,10,15,20-Tetra-kis-(penta-fluoro-phen-yl)porphyrin-ato]zinc(II) benzene disolvate.

Project description:Single crystals of the title zinc porphyrinato complex, [Zn(C44H8F20N4)]·2C6H6, were obtained by the solvent evaporation method. The molecular complex exhibits point group symmetry with the central ZnII atom located on an inversion centre. The porphyrinato core is approximately planar, and the cation has no other ligating atoms than the four porphyrinato N atoms. π-π inter-actions between benzene solvent mol-ecules and [Zn(TFPP)] units lead to multilayer packing structures. In addition, inter-molecular C-H⋯F hydrogen bonding is observed between [Zn(TFPP)] mol-ecules.

| S-EPMC9462257 | biostudies-literature

5,10,15,20-Tetra-kis(4-acetyl-oxyphen-yl)porphyrin including an unknown solvate.

Project description:Mol-ecules of the title compound, C52H38N4O8, are located on an inversion center so that the asymmetric cell contains one half of the mol-ecule. The macrocycle exhibits a ruffled conformation with a maximum deviation of 0.16?Å for the 24 macrocycle atoms: the dihedral angle between adjacent five-membered rings is 5.13?(19)°. The benzene rings are rotated by 70.25?(19)° with respect to their adjacent protonated five-membered rings, and by 65.56?(19)° with respect to the unprotonated rings. The porphyrin conformation is supported by bifurcated N-H?(N,N) hydrogen bonds. The structure contained poorly resolved solvent mol-ecules in voids of volume 217?Å(3) per unit cell. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. As the solvent could not be identified exactly, it was not included in the calculation of the overall formula weight, density and absorption coefficient.

| S-EPMC3589037 | biostudies-other

[5,10,15,20-Tetra-kis(4-meth-oxy-phen-yl)porphyrinato]zinc di-chloro-methane disolvate.

Project description:In the title compound, [Zn(C48H36N4O4)]·2CH2Cl2, the Zn(II) ion lies on an inversion center and is coordinated in an almost ideal square-planar geometry. The asymmetric unit also contains one di-chloro-methane solvent mol-ecule. The unique meth-oxy-substituted benzene rings form dihedral angles of 59.38?(6) and 66.77?(6)° with the mean plane (r.m.s. deviation of fitted atoms = 0.0282?Å) of the atoms in the porphyrin core. The packing is characterized by close contacts between the Zn(II) ion and two symmetry-related mol-ecules through the O atoms of a meth-oxy-phenyl group [Zn?O = 2.694?(2)?Å], forming a two-dimensional network parallel to (100).

| S-EPMC3793700 | biostudies-literature

5,10,15,20-Tetra-kis(1-methyl-pyridinium-4-yl)porphyrin tetra-iodide tetra-hydrate.

Project description:The asymmetric unit of the title compound, C(44)H(38)N(8) (2+)·4I(-)·4H(2)O, comprises two halves of non-equivalent cations of 5,10,15,20-tetra-kis-(1-methyl-pyridinium)porphyrin (with the full mol-ecule of each completed by the application of inversion symmetry), four charge balancing iodide anions and four water mol-ecules of crystallization (two water mol-ecules are fully occupied and four mol-ecules have a site occupancy of 50%). The porphyrin cations are arranged into supramolecular columns parallel to the b axis, mediated by π-π [centroid-centroid distance = 3.762 (4) Å] and C-H⋯π supra-molecular inter-actions [C⋯centroid distance = 3.522 (7) Å, C-H⋯centroid = 128°], leading to the formation of columns parallel to the b axis. The close packing leads to the presence of a one-dimensional channel filled with partially occupied water mol-ecules engaged in O-H⋯O and O-H⋯I hydrogen bonds.

| S-EPMC3238830 | biostudies-literature

Crystal structure of tetra-kis-(1-oxidopyridin-2-yl)methane methanol tetra-solvate.

Project description:The asymmetric unit of the title compound, C21H16N4O4·4CH3OH, consists of a quarter mol-ecule of tetra-kis-(1-oxidopyridin-2-yl)methane and one methanol solvent mol-ecule. In the crystal, the pyridine N-oxide derivative is located about a fourfold rotoinversion axis and exhibits S 4 symmetry along the c axis. An inter-molecular O-H⋯O hydrogen bond is observed between the O atom of the pyridine N-oxide and the OH group of the methanol. An inter-molecular C-H⋯O bond is also observed between adjacent pyridine N-oxide rings.

| S-EPMC4647381 | biostudies-literature

Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetra-kis-[4-(benzo-yloxy)phen-yl]porphyrinato-κ(4) N}zinc.

Project description:The title compound, [Zn(C72H44N4O8)(C4H10N2)] or [Zn(TPBP)(pipz] (where TPBP and pipz are 5,10,15,20-tetra-kis-[4-(benzo-yloxy)phen-yl]porphyrinato and piperazine ligands respectively), features a distorted square-pyramidal coordin-ation geometry about the central Zn(II) atom. This central atom is chelated by the four N atoms of the porphyrinate anion and further coordinated by a nitro-gen atom of the piperazine axial ligand, which adopts a chair confirmation. The average Zn-N(pyrrole) bond length is 2.078 (7) Å and the Zn- N(pipz) bond length is 2.1274 (19) Å. The zinc cation is displaced by 0.4365 (4) Å from the N4C20 mean plane of the porphyrinate anion toward the piperazine axial ligand. This porphyrinate macrocycle exhibits major saddle and moderate ruffling deformations. In the crystal, the supra-molecular structure is made by parallel pairs of layers along (100), with an inter-layer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å. A region of electron density was treated with the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9-18] procedure in PLATON following unsuccessful attempts to model it as being part of disordered n-hexane solvent and water mol-ecules. The given chemical formula and other crystal data do not take into account these solvent mol-ecules.

| S-EPMC4992910 | biostudies-literature

meso-5,10,15,20-Tetra-kis(4-hy-droxy-3-meth-oxy-phen-yl)porphyrin propionic acid monosolvate.

Project description:In the title compound, C(48)H(38)N(4)O(8)·C(3)H(6)O(2), the porphyrin mol-ecule is centrosymmetric. The propionic acid solvent mol-ecule is disordered over two sets of sites with equal occupancy factors. The porphyrin central core is almost planar, with an r.m.s. deviation of the fitted atoms of 0.045 Å. The substituent benzene rings make dihedral angles of 70.37 (4) and 66.95 (4)° with respect to the porphyrin core plane. The crystal structure is stabilized by an inter-esting network of hydrogen bonds. Porphyrin mol-ecules are connected by O-H⋯O hydrogen bonds creating ribbons running along the [101] direction. Weak C-H⋯O hydrogen bonds connect separate mol-ecular ribbons in the [110] direction, creating (-111) layers. Intra-molecular N-H⋯N hydrogen bonds also occur. The propionic acid molecules are connected by pairs of -H⋯O hydrogen bonds, creating dimers.

| S-EPMC3435825 | biostudies-literature

Redetermination of cyclo-tetra-kis-(μ-5,10,15,20-tetra-4-pyridyl-porphyrinato)tetra-zinc(II) dimethyl-formamide octa-solvate trihydrate at 100 K.

Project description:The structure of the title compound, [Zn(4)(C(40)H(24)N(8))(4)]·8C(3)H(7)NO·3H(2)O, has been redetermined at 100 K. The redetermination is of significantly higher precision and gives further insight into the disorder of pyridyl groups and solvent mol-ecules. The mol-ecules of (5,10,15,20-tetra-4-pyridyl-porphyrinato)zinc(II) (ZnTPyP) form homomolecular cyclic tetra-mers by coordination of a peripheral pyridyl group to the central Zn atom of an adjacent symmetry-related mol-ecule. The tetra-mer so formed exhibits mol-ecular S(4) symmetry and is located about a crystallographic fourfold rotoinversion axis. Severely disordered dimethyl-formamide and water mol-ecules are present in the crystal, the contributions of which were omitted from refinement. Inter-molecular C-H⋯N hydrogen bonding is observed.

| S-EPMC3051794 | biostudies-literature

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