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Crystal structure of trans-diaquabis(nicotinamide-κN (1))bis(4-nitrobenzoato-κO)manganese(II)
The asymmetric unit of the title compound, [Mn(C(7)H(4)NO(4))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one Mn(II) atom, one 4-nitrobenzoate (NB) anion, one nicotinamide (NA) ligand and one water molecule; NA and NB each act as a monodentate ligand. The Mn(II) atom, lying on an inversion centre, i...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908509/ https://www.ncbi.nlm.nih.gov/pubmed/27308012 http://dx.doi.org/10.1107/S2056989016005612 |
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author | Aşkın, Gülçin Şefiye Necefoğlu, Hacali Tonbul, Ali Murat Dilek, Nefise Hökelek, Tuncer |
author_facet | Aşkın, Gülçin Şefiye Necefoğlu, Hacali Tonbul, Ali Murat Dilek, Nefise Hökelek, Tuncer |
author_sort | Aşkın, Gülçin Şefiye |
collection | PubMed |
description | The asymmetric unit of the title compound, [Mn(C(7)H(4)NO(4))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one Mn(II) atom, one 4-nitrobenzoate (NB) anion, one nicotinamide (NA) ligand and one water molecule; NA and NB each act as a monodentate ligand. The Mn(II) atom, lying on an inversion centre, is coordinated by four O atoms and two pyridine N atoms in a distorted octahedral geometry. The water molecules are hydrogen bonded to the carboxylate O atoms. The dihedral angle between the carboxylate group and the adjacent benzene ring is 24.4 (3)°, while the benzene and pyridine rings are oriented at a dihedral angle of 86.63 (11)°. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the molecules, forming a layer parallel to the ab plane. The layers are further linked via weak C—H⋯O hydrogen bonds, a π–π stacking interaction [centroid–centroid distance = 3.868 (2) Å] and a weak C—H⋯π interaction, resulting in a three-dimensional network. |
format | Online Article Text |
id | pubmed-4908509 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49085092016-06-15 Crystal structure of trans-diaquabis(nicotinamide-κN (1))bis(4-nitrobenzoato-κO)manganese(II) Aşkın, Gülçin Şefiye Necefoğlu, Hacali Tonbul, Ali Murat Dilek, Nefise Hökelek, Tuncer Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, [Mn(C(7)H(4)NO(4))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one Mn(II) atom, one 4-nitrobenzoate (NB) anion, one nicotinamide (NA) ligand and one water molecule; NA and NB each act as a monodentate ligand. The Mn(II) atom, lying on an inversion centre, is coordinated by four O atoms and two pyridine N atoms in a distorted octahedral geometry. The water molecules are hydrogen bonded to the carboxylate O atoms. The dihedral angle between the carboxylate group and the adjacent benzene ring is 24.4 (3)°, while the benzene and pyridine rings are oriented at a dihedral angle of 86.63 (11)°. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the molecules, forming a layer parallel to the ab plane. The layers are further linked via weak C—H⋯O hydrogen bonds, a π–π stacking interaction [centroid–centroid distance = 3.868 (2) Å] and a weak C—H⋯π interaction, resulting in a three-dimensional network. International Union of Crystallography 2016-04-08 /pmc/articles/PMC4908509/ /pubmed/27308012 http://dx.doi.org/10.1107/S2056989016005612 Text en © Aşkın et al. 2016 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 | Research Communications Aşkın, Gülçin Şefiye Necefoğlu, Hacali Tonbul, Ali Murat Dilek, Nefise Hökelek, Tuncer Crystal structure of trans-diaquabis(nicotinamide-κN (1))bis(4-nitrobenzoato-κO)manganese(II) |
title | Crystal structure of trans-diaquabis(nicotinamide-κN
(1))bis(4-nitrobenzoato-κO)manganese(II) |
title_full | Crystal structure of trans-diaquabis(nicotinamide-κN
(1))bis(4-nitrobenzoato-κO)manganese(II) |
title_fullStr | Crystal structure of trans-diaquabis(nicotinamide-κN
(1))bis(4-nitrobenzoato-κO)manganese(II) |
title_full_unstemmed | Crystal structure of trans-diaquabis(nicotinamide-κN
(1))bis(4-nitrobenzoato-κO)manganese(II) |
title_short | Crystal structure of trans-diaquabis(nicotinamide-κN
(1))bis(4-nitrobenzoato-κO)manganese(II) |
title_sort | crystal structure of trans-diaquabis(nicotinamide-κn
(1))bis(4-nitrobenzoato-κo)manganese(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908509/ https://www.ncbi.nlm.nih.gov/pubmed/27308012 http://dx.doi.org/10.1107/S2056989016005612 |
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