Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

{meso-Tetra-kis[p-(hept-yloxy)phen-yl]-porphyrinato}silver(II).

ABSTRACT: The title compound, [Ag(C(72)H(84)N(4)O(4))], crystallizes with the Ag(II) cation on a centre of symmetry. The macrocyclic 24-membered ring core is planar with a mean deviation of 0.0311?(15)?Å and the four-coordinate Ag(II) cation fits into its center, at 2.0814?(19) and 2.0872?(19)?Å, from the surrounding pyrrole-N atoms, in agreement with what is found in related compounds. The p-heptyl-oxyphenyl groups are rotated 75.51?(5) and 84.45?(8)° with respect to the porphyrin mean plane, due to steric hindrance with the pyrrole-H atoms of the macrocycle.

SUBMITTER: Liao JX

PROVIDER: S-EPMC3200905 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

{meso-Tetra-kis[p-(hept-yloxy)phen-yl]-porphyrinato}silver(II).

Liao Jun-Xu JX Zhao Hong-Bin HB Yang De-Liang DL Chen Liang L Wang Bang-Ying BY

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

The title compound, [Ag(C(72)H(84)N(4)O(4))], crystallizes with the Ag(II) cation on a centre of symmetry. The macrocyclic 24-membered ring core is planar with a mean deviation of 0.0311 (15) Å and the four-coordinate Ag(II) cation fits into its center, at 2.0814 (19) and 2.0872 (19) Å, from the surrounding pyrrole-N atoms, in agreement with what is found in related compounds. The p-heptyl-oxyphenyl groups are rotated 75.51 (5) and 84.45 (8)° with respect to the porphyrin mean plane, due to ster ...[more]

PMID: 22065718

Similar Datasets

{5,10,15,20-Tetra-kis[4-(hex-yloxy)phen-yl]porphyrinato}nickel(II).

Project description:The mol-ecule of the title compound, [Ni(C(68)H(76)N(4)O(4))], is located on a crystallographic inversion center. The Ni-N distances within the square-shaped coordination environment are 1.951?(2) and 1.954?(2)?Å. Three terminal C atoms in one of the hexyl groups are disordered over two sets of sites, with site-occupancy factors of 0.615?(13) and 0.385?(13).

| S-EPMC3379137 | biostudies-literature

{5,10,15,20-Tetra-kis[4-(oct-yloxy)phen-yl]porphyrinato}copper(II).

Project description:In the title compound, [Cu(C(76)H(92)N(4)O(4))], the central Cu(II) ion is situated on an inversion centre. The porphyrinate core exhibits a nearly planar conformation [maximum deviation = 0.027?(3)?Å], with Cu-N distances of 1.997?(2) and 2.001?(2)?Å. The benzene rings of the 4-octyloxyphenyl groups are rotated at angles of 84.02?(8) and 77.02?(6)° with respect to the mean plane of the porphyrin fragment. The two terminal C atoms in the octyl group are disordered over two positions of equal occupancy.

| S-EPMC3238604 | biostudies-literature

[meso-Tetra-kis(4-heptyl-oxyphen-yl)porphyrinato]nickel(II).

Project description:In the title compound, [Ni(C(72)H(84)N(4)O(4))], the four-coordinate Ni(II) ion in the middle of the planar 24-membered porphyrin ring is located on a crystallograpic inversion center, with Ni-N distances of 1.946?(2)-1.951?(2)?Å. The 4-heptyl-oxyphenyl groups are twisted with respect to the porphyrin mean plane, the dihedral angles being 88.5?(3) and 79.1?(2)°.

| S-EPMC3009015 | biostudies-literature

meso-[5,10,15,20-Tetra-kis(4-cyano-phen-yl)porphyrinato]zinc.

Project description:In the title compound, [Zn(C(48)H(24)N(8))], the coordination environment of the Zn(2+) ion (site symmetry [Formula: see text]) is octa-hedral, with four indole N atoms forming the equatorial plane and the axial positions being occupied by N atoms from the cyanide groups of neighbouring molecules. In the crystal, adjacent mol-ecules are assembled into a two-dimensional supra-molecular framework parallel to ([Formula: see text]01) via the coodination bonding. Topology analysis reveals this compound to be a (4,4)-connected network.

| S-EPMC3099819 | biostudies-other

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

[meso-5,10,15,20-Tetra-kis(3-methyl-thio-phen-2-yl)porphyrinato-κ(4) N,N',N'',N''']nickel(II) benzene hemisolvate.

Project description:In the title compound, [Ni(C40H28N4S4)]·0.5C6H6, the Ni(II) atom is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N4 donor set and the pyrrole rings being in the range 16.24 (5)-22.47 (5)°. Each of the six-membered chelate rings is twisted about an Ni-N bond and the dihedral angles between diagonally opposite chelate rings are 21.36 (4) and 23.87 (4)°; each pair of rings is oriented in opposite directions. The methyl-thienyl rings are twisted out of the plane of the central N4 core with dihedral angles in the range 75.98 (2)-88.70 (5)°. All four methyl-thienyl groups are disordered over two sets of sites, as is commonly found with such groups, with occupancies of 0.553 (8):0.447 (8), 0.579 (7):0.421 (7), 0.796 (6):0.204 (6) and 0.956 (7):0.044 (7). The benzene solvent mol-ecule was found to be present in half-occupancy.

| S-EPMC3884990 | biostudies-literature

(Cryptand-222)potassium(+) (hydrogensulfido)[5,10,15,20-tetra-kis(2-pival-amido-phen-yl)porphyrinato]ferrate(II).

Project description:As part of a systematic investigation for a number of Fe(II) porphyrin complexes used as biomimetic models for cytochrome P450, crystals of the title compound, [K(C(18)H(36)N(2)O(6))][Fe(II)(C(64)H(64)N(8)O(4))(HS)], were prepared. The compound exhibits a non-planar conformation with major ruffling and saddling distortions. The average equatorial iron-pyrrole N atom [Fe-N(p) = 2.102?(2)?Å] bond length and the distance between the Fe(II) atom and the 24-atom core of the porphyrin ring (Fe-P(C)= 0.558?Å) are typical for high-spin iron(II) penta-coordinate porphyrinates. One of the tert-butyl groups in the structure is disordered over two sets with occupancies of 0.84 and 0.16.

| S-EPMC2977240 | biostudies-literature

[meso-5,10,15,20-Tetra-kis(5-bromo-thio-phen-2-yl)porphyrinato-?(4)N,N',N'',N''']nickel(II).

Project description:The Ni(II) atom in the title porphyrin complex, [Ni(C(36)H(16)Br(4)N(4)S(4))], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N(4) donor set and the pyrrole rings being in the range 17.0?(3)-18.8?(3)°. Each of the six-membered chelate rings is twisted about an Ni-N bond and the dihedral angles between diagonally opposite chelate rings are 13.08?(15) and 13.45?(11)°; each pair of rings is orientated in opposite directions. The bromo-thienyl rings are twisted out of the plane of the central N(4) core with dihedral angles in the range 51.7?(2)-74.65?(19)°. Supra-molecular chains along [001] are formed through C-H?Br inter-actions in the crystal packing. Three of the four bromo-thienyl units are disordered over two coplanar positions of opposite orientation with the major components being in 0.691?(3), 0.738?(3) and 0.929?(9) fractions.

| S-EPMC3343861 | biostudies-other

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

[5,10,15,20-Tetra-kis(4-chloro-phen-yl)porphyrinato]bis-(tributyl-phosphine)cobalt(III) perchlorate.

Project description:In the mol-ecule of the title compound, [Co(C(44)H(24)Cl(4)N(4)){(C(4)H(9))(3)P}(2)]ClO(4), the Co(III) centre has a slightly distorted octa-hedral geometry and is coordinated by four N atoms of the tetra-pyrrolic ring in the equatorial positions and two phosphine ligands in the axial positions. The dihedral angles between meso-substituted chloro-phenyl rings and the basic tetra-pyrrolic ring are 82.66 (9), 82.16 (7), 83.97 (11) and 76.87 (8)°. In one of the phosphine ligands, the two terminal methyl groups are disordered over two positions with refined site-occupancy ratios of 0.70 (7):0.30 (7) and 0.66 (2):0.34 (2). In the crystal structure, mol-ecules are linked together along the a axis by inter-molecular C-H⋯Cl inter-actions. The crystal structure is further stabilized by intra-molecular C-H⋯O and C-H⋯N inter-actions and inter-molecular C-H⋯O and C-H⋯π inter-actions.

| S-EPMC2969721 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data