title: Crystal structure of di-aqua-[5,10,15,20-tetra-kis-(4-bromo-phen-yl)porphyrinato-κ(4) N]magnesium.
abstract: The title compound, [Mg(C44H24Br4N4)(H2O)2] or [Mg(TBrPP)(H2O)2], where TBrPP is the 5,10,15,20-tetra-kis-(4-bromo-phen-yl)porphyrinato ligand, was obtained unintentionally as a by-product of the reaction of the [Mg(TBrPP)] complex with an excess of di-methyl-glyoxime in di-chloro-methane. The entire mol-ecule 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 Mg(II) 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 mol-ecule are incompatible with the fourfold rotation axis and are disordered over two sites. In the crystal, mol-ecules are packed in rows along [001]. Weak inter-molecular C-H⋯π and C-H⋯Br inter-actions, as well as O-H⋯Br hydrogen bonds, stabilize the crystal packing.
authors.affiliation: Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l'environnement, 5019 Monastir, Tunisia.
authors.forename: Nesrine
authors.initials: N
authors.lastname: Amiri
authors.affiliation: Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l'environnement, 5019 Monastir, Tunisia.
authors.forename: Soumaya
authors.initials: S
authors.lastname: Nasri
authors.affiliation: Centre de Diffractométrie X, Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS-Université de Rennes 1, Campus de Beaulieu, 35042 Rennes Cedex, France.
authors.forename: Thierry
authors.initials: T
authors.lastname: Roisnel
authors.affiliation: Institute of Sciences Chimiques of Rennes, Ingénierie Chimique et Molécules pour le vivant, UMR 6226 CNRS, Campus de Beaulieu, 35042 Rennes Cedex, France.
authors.forename: Gérard
authors.initials: G
authors.lastname: Simonneaux
authors.affiliation: Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l'environnement, 5019 Monastir, Tunisia.
authors.forename: Habib
authors.initials: H
authors.lastname: Nasri
keywords: C—H⋯Br inter­actions; C—H⋯π inter­actions; O—H⋯Br hydrogen bonds; crystal structure; magnesium porphyrin complex
references.citation: Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22
references.pmid: 18156677
references.citation: Inorg Chem. 2010 Sep 20;49(18):8287-97
references.pmid: 20726516
references.citation: Acta Crystallogr Sect E Struct Rep Online. 2013 Feb 1;69(Pt 2):m114-5
references.pmid: 23424408
references.citation: Angew Chem Int Ed Engl. 2014 Jan 13;53(3):662-71
references.pmid: 24382699