Crystal structure of di-aqua-[5,10,15,20-tetra-kis-(4-bromo-phen-yl)porphyrinato-κ(4) N]magnesium.

Nesrine Amiri,Gérard Simonneaux,Habib Nasri,Thierry Roisnel,Soumaya Nasri

doi:10.1107/s2056989015003722

Abstract

The title compound, [Mg(C44H24Br4N4)(H2O)2] or [Mg(TBrPP)(H2O)2], where TBrPP is the 5,10,15,20-tetrakis(4-bromophenyl)porphyrinato ligand, was obtained unintentionally as a by-product of the reaction of the [Mg(TBrPP)] complex with an excess of dimethylglyoxime in dichloromethane. The entire molecule exhibits point group symmetry 4/m. In the asymmetric unit, except for two C atoms of the phenyl ring, all other atoms lie on special positions. The MgII atom is situated at a site with symmetry 4/m, while the N and the C atoms of the porphyrin macrocycle, as well as two C atoms of the phenyl ring and the Br atom lie in the mirror plane containing the porphyrin core. The H atoms of the axially bonded water molecule are incompatible with the fourfold rotation axis and are disordered over two sites. In the crystal, molecules are packed in rows along [001]. Weak intermolecular C—H⋯π and C—H⋯Br interactions, as well as O—H⋯Br hydrogen bonds, stabilize the crystal packing.

Highlights

Ong et al (1986), respectively
The H atom position of the aqua axial ligand was calculated with the program CALC-OH
Except for two C atoms of the phenyl ring, all other atoms lie on special positions

Summary

Introduction

Ong et al (1986), respectively. The H atom position of the aqua axial ligand was calculated with the program CALC-OH (Nardelli, 1999). For the related porphyrin species [Mg(TPP)(4-pic)2] (4-pic = 4picoline) and [Mg(TPP)(H2O)], see: McKee et al (1984) and The H atom position of the aqua axial ligand was calculated with the program CALC-OH Gérard Simonneauxc and Habib Nasria a Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l’environnement, 5019 Monastir, Tunisia, bCentre de Diffractométrie X, Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS–Université de Rennes 1, Campus de Beaulieu, 35042 Rennes Cedex, France, and cInstitute of Sciences

Results

Conclusion