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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.
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01141467
Contributor : Laurent Jonchère <>
Submitted on : Monday, April 13, 2015 - 9:55:44 AM
Last modification on : Tuesday, October 20, 2020 - 7:24:05 PM

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Nesrine Amiri, Soumaya Nasri, Thierry Roisnel, Gérard Simonneaux, Habib Nasri. Crystal structure of di-aqua-[5,10,15,20-tetra-kis-(4-bromo-phen-yl)porphyrinato-κ(4) N]magnesium.. Acta crystallographica. Section E, Crystallographic communications, International Union of Crystallography, 2015, 71 (Pt 3), pp.m73-4. ⟨10.1107/S2056989015003722⟩. ⟨hal-01141467⟩

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