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[Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8

The structure of the title compound octa­kis­{[4-(dimethyl­amino)­pyridine](nitros­yl)[N,N′-(o-phenyl­ene)bis­(pyridine-2-carboxamidato)]manganese(II)} ethanol hepta­solvate 3.5-hydrate, [Mn(C(18)H(12)N(4)O(2))(C(7)H(10)N(2))(NO)](8)·7C(2)H(5)OH·3.5H(2)O, or 8[Mn(bpb)(DMAP)(NO)]·7EtOH·3.5H(2)O, is a...

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Autores principales: Olmstead, Marilyn M., Eroy-Reveles, A. Alegra, Mascharak, Pradip K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201327/
https://www.ncbi.nlm.nih.gov/pubmed/22058717
http://dx.doi.org/10.1107/S1600536811038669
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author Olmstead, Marilyn M.
Eroy-Reveles, A. Alegra
Mascharak, Pradip K.
author_facet Olmstead, Marilyn M.
Eroy-Reveles, A. Alegra
Mascharak, Pradip K.
author_sort Olmstead, Marilyn M.
collection PubMed
description The structure of the title compound octa­kis­{[4-(dimethyl­amino)­pyridine](nitros­yl)[N,N′-(o-phenyl­ene)bis­(pyridine-2-carboxamidato)]manganese(II)} ethanol hepta­solvate 3.5-hydrate, [Mn(C(18)H(12)N(4)O(2))(C(7)H(10)N(2))(NO)](8)·7C(2)H(5)OH·3.5H(2)O, or 8[Mn(bpb)(DMAP)(NO)]·7EtOH·3.5H(2)O, is an unusual example of a structure with Z′ = 8. The tetra­dentate bpb ligand, together with the nitrosyl and dimethyl­amino­pyridine ligands, gives rise to a distorted octa­hedral coordination environment for the Mn(II) ion. The average Mn—N((N=O)) bond length is 1.631 (13) Å. The eight mol­ecules in the asymmetric unit differ mainly in the rotation of the DMAP pyridine plane with respect to a reference plane of the Mn and three N atoms, one of which is the N atom of the NO group. The dihedral angles between the normals to these planes range from a minimum of 28.0 (2)° to a maximum of 64.2 (2)°. There are also some differences in O—H⋯O hydrogen bonding inter­actions. For example, of the sixteen C=O acceptors, there are seven different inter­actions with EtOH donors and two inter­actions with H(2)O donors. The crystal studied was found to be a two-component twin, with a 179.9° rotation about the real axis [−0.535, 0.004, 1.000]. Due to the presence of a superlattice and, consequently, the large number of weak reflections, the refinement utilized rigid solvate groups and isotropic displacement parameters for all except the Mn atoms. H atoms were not located for hydrate molecules.
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spelling pubmed-32013272011-11-06 [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8 Olmstead, Marilyn M. Eroy-Reveles, A. Alegra Mascharak, Pradip K. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The structure of the title compound octa­kis­{[4-(dimethyl­amino)­pyridine](nitros­yl)[N,N′-(o-phenyl­ene)bis­(pyridine-2-carboxamidato)]manganese(II)} ethanol hepta­solvate 3.5-hydrate, [Mn(C(18)H(12)N(4)O(2))(C(7)H(10)N(2))(NO)](8)·7C(2)H(5)OH·3.5H(2)O, or 8[Mn(bpb)(DMAP)(NO)]·7EtOH·3.5H(2)O, is an unusual example of a structure with Z′ = 8. The tetra­dentate bpb ligand, together with the nitrosyl and dimethyl­amino­pyridine ligands, gives rise to a distorted octa­hedral coordination environment for the Mn(II) ion. The average Mn—N((N=O)) bond length is 1.631 (13) Å. The eight mol­ecules in the asymmetric unit differ mainly in the rotation of the DMAP pyridine plane with respect to a reference plane of the Mn and three N atoms, one of which is the N atom of the NO group. The dihedral angles between the normals to these planes range from a minimum of 28.0 (2)° to a maximum of 64.2 (2)°. There are also some differences in O—H⋯O hydrogen bonding inter­actions. For example, of the sixteen C=O acceptors, there are seven different inter­actions with EtOH donors and two inter­actions with H(2)O donors. The crystal studied was found to be a two-component twin, with a 179.9° rotation about the real axis [−0.535, 0.004, 1.000]. Due to the presence of a superlattice and, consequently, the large number of weak reflections, the refinement utilized rigid solvate groups and isotropic displacement parameters for all except the Mn atoms. H atoms were not located for hydrate molecules. International Union of Crystallography 2011-09-30 /pmc/articles/PMC3201327/ /pubmed/22058717 http://dx.doi.org/10.1107/S1600536811038669 Text en © Olmstead et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Olmstead, Marilyn M.
Eroy-Reveles, A. Alegra
Mascharak, Pradip K.
[Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8
title [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8
title_full [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8
title_fullStr [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8
title_full_unstemmed [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8
title_short [Mn(bpb)(DMAP)(NO)], an {Mn–NO}(6) nitrosyl with Z′ = 8
title_sort [mn(bpb)(dmap)(no)], an {mn–no}(6) nitrosyl with z′ = 8
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201327/
https://www.ncbi.nlm.nih.gov/pubmed/22058717
http://dx.doi.org/10.1107/S1600536811038669
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