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Crystal structure of chlorido-(5,10,15,20-tetra-phenyl-porphyrinato-κ(4) N)manganese(III) 2-amino-pyridine disolvate.

Harhouri W, Dhifaoui S, Najmudin S, Bonifácio C, Nasri H - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the Mn(III) centre is coordinated by four pyrrole N atoms [averaged Mn-N = 2.012 (4) Å] of the tetra-phenyl-porphyrin mol-ecule and one chloride axial ligand [Mn-Cl = 2.4315 (7) Å] in a square-pyramidal geometry.In the crystal, two independent solvent mol-ecules form dimers through N-H⋯N hydrogen bonding.In these dimers, one amino N atom has a short Mn⋯N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octa-hedron, and another amino atom generates weak N-H⋯Cl hydrogen bonds, which link further all mol-ecules into chains along the a axis.

View Article: PubMed Central - HTML - PubMed

Affiliation: Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l'Environnement, 5019 Monastir, University of Monastir, Tunisia.

ABSTRACT
In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the Mn(III) centre is coordinated by four pyrrole N atoms [averaged Mn-N = 2.012 (4) Å] of the tetra-phenyl-porphyrin mol-ecule and one chloride axial ligand [Mn-Cl = 2.4315 (7) Å] in a square-pyramidal geometry. The porphyrin macrocycle exhibits a non-planar conformation with major ruffling and saddling distortions. In the crystal, two independent solvent mol-ecules form dimers through N-H⋯N hydrogen bonding. In these dimers, one amino N atom has a short Mn⋯N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octa-hedron, and another amino atom generates weak N-H⋯Cl hydrogen bonds, which link further all mol-ecules into chains along the a axis.

No MeSH data available.


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The contents of the asymmetric unit of (I), showing the atomic numbering. Displacement ellipsoids are drawn at the 50% probability level. H atoms are omitted for clarity.
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fig1: The contents of the asymmetric unit of (I), showing the atomic numbering. Displacement ellipsoids are drawn at the 50% probability level. H atoms are omitted for clarity.

Mentions: In (I), the central MnIII atom has a square-pyramidal coordination geometry (Fig. 1 ▸). The equatorial plane is formed by four nitro­gen atoms of the porphyrin whereas the apical position is occupied by the chlorido ligand. The asymmetric unit of (I) consists of the [MnIII(TPP)Cl] complex (TPP is the 5,10,15,20-tetra­phenyl­porphyrinato ligand) and two 2-amino­pyridine solvent mol­ecules. The average equatorial mangan­ese–N(pyrrole) distance (Mn—Np) is 2.012 (4) Å, while the Mn—Cl bond length is 2.4315 (7) Å. The manganese atom is displaced by 0.1616 (5) Å from the 24-atom porphyrin mean plane. The porphyrin core presents a major ruffling deformation, as seen in the positions of the meso carbons alternatively above and below the mean plane of the 24-atom porphyrin macrocycle, and a saddle distortion involving the displacement of the pyrrole rings alternately above and below the porphyrin macrocycle mean plane (Scheidt & Lee, 1987 ▸). This is confirmed by normal structural decomposition (NSD) calculations (Jentzen et al., 1998 ▸), with ruffling and saddle percentages of 40% and 36%, respectively.


Crystal structure of chlorido-(5,10,15,20-tetra-phenyl-porphyrinato-κ(4) N)manganese(III) 2-amino-pyridine disolvate.

Harhouri W, Dhifaoui S, Najmudin S, Bonifácio C, Nasri H - Acta Crystallogr E Crystallogr Commun (2015)

The contents of the asymmetric unit of (I), showing the atomic numbering. Displacement ellipsoids are drawn at the 50% probability level. H atoms are omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4384609&req=5

fig1: The contents of the asymmetric unit of (I), showing the atomic numbering. Displacement ellipsoids are drawn at the 50% probability level. H atoms are omitted for clarity.
Mentions: In (I), the central MnIII atom has a square-pyramidal coordination geometry (Fig. 1 ▸). The equatorial plane is formed by four nitro­gen atoms of the porphyrin whereas the apical position is occupied by the chlorido ligand. The asymmetric unit of (I) consists of the [MnIII(TPP)Cl] complex (TPP is the 5,10,15,20-tetra­phenyl­porphyrinato ligand) and two 2-amino­pyridine solvent mol­ecules. The average equatorial mangan­ese–N(pyrrole) distance (Mn—Np) is 2.012 (4) Å, while the Mn—Cl bond length is 2.4315 (7) Å. The manganese atom is displaced by 0.1616 (5) Å from the 24-atom porphyrin mean plane. The porphyrin core presents a major ruffling deformation, as seen in the positions of the meso carbons alternatively above and below the mean plane of the 24-atom porphyrin macrocycle, and a saddle distortion involving the displacement of the pyrrole rings alternately above and below the porphyrin macrocycle mean plane (Scheidt & Lee, 1987 ▸). This is confirmed by normal structural decomposition (NSD) calculations (Jentzen et al., 1998 ▸), with ruffling and saddle percentages of 40% and 36%, respectively.

Bottom Line: In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the Mn(III) centre is coordinated by four pyrrole N atoms [averaged Mn-N = 2.012 (4) Å] of the tetra-phenyl-porphyrin mol-ecule and one chloride axial ligand [Mn-Cl = 2.4315 (7) Å] in a square-pyramidal geometry.In the crystal, two independent solvent mol-ecules form dimers through N-H⋯N hydrogen bonding.In these dimers, one amino N atom has a short Mn⋯N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octa-hedron, and another amino atom generates weak N-H⋯Cl hydrogen bonds, which link further all mol-ecules into chains along the a axis.

View Article: PubMed Central - HTML - PubMed

Affiliation: Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l'Environnement, 5019 Monastir, University of Monastir, Tunisia.

ABSTRACT
In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the Mn(III) centre is coordinated by four pyrrole N atoms [averaged Mn-N = 2.012 (4) Å] of the tetra-phenyl-porphyrin mol-ecule and one chloride axial ligand [Mn-Cl = 2.4315 (7) Å] in a square-pyramidal geometry. The porphyrin macrocycle exhibits a non-planar conformation with major ruffling and saddling distortions. In the crystal, two independent solvent mol-ecules form dimers through N-H⋯N hydrogen bonding. In these dimers, one amino N atom has a short Mn⋯N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octa-hedron, and another amino atom generates weak N-H⋯Cl hydrogen bonds, which link further all mol-ecules into chains along the a axis.

No MeSH data available.


Related in: MedlinePlus