Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

[5,15-Bis(2-methyl-prop-yl)porphyrinato]nickel(II).

ABSTRACT: The title compound, [Ni(C(28)H(28)N(4))], crystallizes with two independent mol-ecules in the unit cell, one of which is located on an inversion center. Both macrocycles exhibit a planar conformation with average deviation from the least-squares-plane of the 24 macrocycle atoms of ?24 = 0.043?Å for the first mol-ecule and 0.026?Å for the mol-ecule located on an inversion center. The average Ni-N bond lengths are 1.955?(2) and 1.956?(2)?Å in the two mol-ecules. The mol-ecules form ?-? dimers of inter-mediary strength with a mean plane separation of 3.36?(2)?Å.

SUBMITTER: Senge MO

PROVIDER: S-EPMC3435609 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

[5,15-Bis(2-methyl-prop-yl)porphyrinato]nickel(II).

Senge Mathias O MO

Acta crystallographica. Section E, Structure reports online 20120823 Pt 9

The title compound, [Ni(C(28)H(28)N(4))], crystallizes with two independent mol-ecules in the unit cell, one of which is located on an inversion center. Both macrocycles exhibit a planar conformation with average deviation from the least-squares-plane of the 24 macrocycle atoms of Δ24 = 0.043 Å for the first mol-ecule and 0.026 Å for the mol-ecule located on an inversion center. The average Ni-N bond lengths are 1.955 (2) and 1.956 (2) Å in the two mol-ecules. The mol-ecules form π-π dimers of i ...[more]

PMID: 22969482

Similar Datasets

(5,15-Dianthracen-9-yl-10,20-dihexyl-porphyrinato)nickel(II): a planar nickel(II) porphyrin.

Project description:The title compound, [Ni(C(60)H(52)N(4))], is an example of a meso tetra-substituted nickel(II) porphyrin with both meso aryl and alkyl residues. The mol-ecule exhibits a planar macrocycle with an average deviation of the 24 macrocycle atoms from their least-squares plane (?24) of 0.01?Å and an average Ni-N bond length of 1.960?(2)?Å. The Ni(II) atom lies on a center of inversion. The structure presents a rare example for a planar nickel(II) porphyrin, as meso-substituted nickel(II) porphyrins with either only meso-aryl or with meso-alkyl residues typically exhibit a ruffled conformation.

| S-EPMC3006865 | biostudies-literature

Bis{2-[(2-hy-droxy-2-methyl-prop-yl)imino-meth-yl]-4-nitro-phenolato}nickel(II) dimethyl-formamide monosolvate.

Project description:In the title compound, [Ni(C(11)H(13)N(2)O(4))(2)]·C(3)H(7)NO, the Ni(II) ion is octa-hedrally coordinated in an N(2)O(4) environment by two identical Schiff base ligands. The Ni-O bond lengths range from 2.004?(2) to 2.106?(2)?Å, while the Ni-N bond lengths are 2.038?(2) and 2.0465?(19)?Å. The cis bond angles range from 78.64?(8) to 97.30?(8)°, with the former being due to the small bite of the amino-alcohol ligand, while the trans bond angles range from 167.86?(8) to 171.23?(8)°. One of the alcohol H atoms forms a hydrogen bond with the dimethyl-formamide (DMF) solvent mol-ecule, while the other links mol-ecules into chains along the b axis through inter-molecular O-H?O hydrogen bonds. There are bifurcated C-H?O inter-actions involving one of the nitro groups between parallel stacks of mol-ecules in the b-axis direction.

| S-EPMC3200578 | biostudies-literature

Bis[4-methyl-2-(4-methyl-phenyldiazen-yl)phenolato-?N,O]nickel(II).

Project description:In the crystal structure of the title compound, [Ni(C(14)H(13)N(2)O)(2)], the Ni(II) ion is located on an inversion center and is coordinated by two 4-methyl-2-(4-methyl-phenyl-diazen-yl)phenolate anions in a slightly distorted square-planar geometry. Within the anion, the two benzene rings are twisted from each other with a dihedral angle of 45.97?(12)°. No hydrogen bonding is found in the crystal structure.

| S-EPMC2977611 | 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

1-[3-({[Bis(2-methyl-prop-yl)carbamo-thio-yl]amino}-carbon-yl)benzoyl]-3,3-bis-(2-methyl-prop-yl)thio-urea.

Project description:The title compound, C26H42N4O2S2, adopts a shallow U-shape as both pendant arms of the 1,3-substituted benzene ring are orientated in the same direction. The thione S atoms lie to the same side of the benzene ring and the carbonyl O atoms to the other. The most prominent feature of the crystal packing is the formation of inversion dimers mediated by N-H?S hydrogen bonds. One of the 2-methyl-propyl groups is statistically disordered over two positions.

| S-EPMC3884506 | biostudies-literature

Crystal structure of (15,20-bis-(2,3,4,5,6-penta-fluoro-phen-yl)-5,10-{(4-methyl-pyridine-3,5-di-yl)bis-[(sulfanediyl-methyl-ene)[1,1'-biphen-yl]-4',2-di-yl]}porphyrinato)nickel(II) di-chloro-methane x-solvate (x > 1/2).

Project description:The title compound, [Ni(C64H33F10N5S2)]·xCH2Cl2, consists of discrete NiII porphyrin complexes, in which the five-coordinate NiII cations are in a distorted square-pyramidal coordination geometry. The four porphyrin nitro-gen atoms are located in the basal plane of the pyramid, whereas the pyridine N atom is in the apical position. The porphyrin plane is strongly distorted and the NiII cation is located above this plane by 0.241?(3)?Å and shifted in the direction of the coordinating pyridine nitro-gen atom. The pyridine ring is not perpendicular to the N4 plane of the porphyrin moiety, as observed for related compounds. In the crystal, the complexes are linked via weak C-H?F hydrogen bonds into zigzag chains propagating in the [001] direction. Within this arrangement cavities are formed, in which highly disordered di-chloro-methane solvate mol-ecules are located. No reasonable structural model could be found to describe this disorder and therefore the contribution of the solvent to the electron density was removed using the SQUEEZE option in PLATON [Spek (2015 ?). Acta Cryst. C71, 9-18].

| S-EPMC6775725 | biostudies-literature

?-(2,6-Bis{[3-(di-methyl-amino)-prop-yl]imino-meth-yl}-4-methyl-phenolato)-?-hydroxido-bis-[(thio-cyanato-?N)copper(II)].

Project description:In the title compound, [Cu2(C19H31N4O)(OH)(NCS)2], the mol-ecular structure of the dinuclear complex reveals two penta-coordinated Cu(II) ions, which are bridged by the phenolate O atom of the ligand and by an exogenous hydroxide ion. The bridging atoms occupy equatorial positions in the coordination sphere of the metal atoms and complete the equatorial coordination planes with two ligand N atoms, the apical positions being occupied by thio-cyanate N atoms. The crystal structure also features ?-? stacking inter-actions involving the benzene rings with a centroid-centroid distance of 3.764?(4)Å. The crystal studied was a non-merohedral twin, with a refined BASF value of 0.203?(2).

| S-EPMC3790352 | biostudies-literature

{rac-5-[Meth-oxy(phen-yl)meth-yl]-10,20-diphenyl-porphyrinato}nickel(II).

Project description:The title compound, [Ni(C(40)H(28)N(4)O)], was obtained from a Grignard reaction of the respective formyl-porphyrin to yield {5-[hy-droxy(phen-yl)meth-yl]-10,20-diphenyl-porphyrinato}nickel(II), followed by crystallization from methyl-ene chloride/methanol. The mol-ecule exhibits a ruffled macrocycle with an average deviation of the 24 macrocycle atoms from their least-squares plane (?24) of 0.26?Å and an average Ni-N bond length of 1.931?(2)?Å. In line with the asymmetrical substituent pattern, the degree of distortion is slightly larger at point of attachment of the meth-oxy(phen-yl)methyl residue than at the unsubstituted meso position. The meth-oxy group attached to the chiral C atom is disordered in a 0.534?(4):0.466?(4) ratio.

| S-EPMC3051756 | biostudies-literature

{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

Bis{S-benzyl 3-[(6-methyl-pyridin-2-yl)methyl-idene]dithio-carbazato}nickel(II).

Project description:The asymmetric unit of the title compound, [Ni(C(15)H(14)N(3)S(2))(2)], consists of two independent mol-ecules with similar configurations. Each Ni(2+) cation is coordinated in a cis-mode by two tridentate N,N',S-chelating Schiff base ligands, creating a distorted octa-hedron [the smallest angle being 77.57?(7)° and the widest being 168.97?(7)° for one mol-ecule, and 78.04?(7) and 167.55?(7)° for the second mol-ecule]. The dihedral angle between the mean coordination planes of the two ligands is 86.76?(7)° for one and 89.99?(7)° for the second mol-ecule. ?-? inter-actions between neighbouring pyridine rings with plane-to-plane distances of 3.540?(1) and 3.704?(1)?Å are observed.

| S-EPMC3344386 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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