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Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole
A first coordination compound of 2-aminobenzoxazole (2AB), namely, bis(2-aminobenzoxazole-κN (3))bis(acetato-κ(2) O,O′)cadmium(II), [Cd(CH(3)COO)(2)(2AB)(2)], has been synthesized from ethanol solutions of Cd(CH(3)(COO)(2) and 2AB. In the monoclinic crystals with the space group C2(1)/c, the cad...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483566/ https://www.ncbi.nlm.nih.gov/pubmed/37693679 http://dx.doi.org/10.1107/S2056989023007399 |
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author | Razzoqova, Surayyo Ibragimov, Aziz Torambetov, Batirbay Kadirova, Shakhnoza Holczbauer, Tamas Ashurov, Jamshid Ibragimov, Bakhtiyar |
author_facet | Razzoqova, Surayyo Ibragimov, Aziz Torambetov, Batirbay Kadirova, Shakhnoza Holczbauer, Tamas Ashurov, Jamshid Ibragimov, Bakhtiyar |
author_sort | Razzoqova, Surayyo |
collection | PubMed |
description | A first coordination compound of 2-aminobenzoxazole (2AB), namely, bis(2-aminobenzoxazole-κN (3))bis(acetato-κ(2) O,O′)cadmium(II), [Cd(CH(3)COO)(2)(2AB)(2)], has been synthesized from ethanol solutions of Cd(CH(3)(COO)(2) and 2AB. In the monoclinic crystals with the space group C2(1)/c, the cadmium ions coordinate two neutral 2AB molecules in a monodentate fashion through the oxazole N atom, while two acetate ligands are coordinated through the O atoms in a bidentate manner. The coordination polyhedron of the central ion is substantially distorted octahedral. There are two relatively strong intramolecular hydrogen bonds in the complex molecule. Additionally, two intermolecular hydrogen bonds associate complex molecules into columns running in the [1 [Image: see text] 0] and [110] directions. The Hirshfeld surface analysis shows that 45.7% of the intermolecular interactions are from H⋯H contacts, 24.7% are from O⋯H/H⋯O contacts and 18.8% are from C⋯H/H⋯C contacts, while other contributions are from N⋯H/H⋯N and O⋯O contacts. |
format | Online Article Text |
id | pubmed-10483566 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-104835662023-09-08 Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole Razzoqova, Surayyo Ibragimov, Aziz Torambetov, Batirbay Kadirova, Shakhnoza Holczbauer, Tamas Ashurov, Jamshid Ibragimov, Bakhtiyar Acta Crystallogr E Crystallogr Commun Research Communications A first coordination compound of 2-aminobenzoxazole (2AB), namely, bis(2-aminobenzoxazole-κN (3))bis(acetato-κ(2) O,O′)cadmium(II), [Cd(CH(3)COO)(2)(2AB)(2)], has been synthesized from ethanol solutions of Cd(CH(3)(COO)(2) and 2AB. In the monoclinic crystals with the space group C2(1)/c, the cadmium ions coordinate two neutral 2AB molecules in a monodentate fashion through the oxazole N atom, while two acetate ligands are coordinated through the O atoms in a bidentate manner. The coordination polyhedron of the central ion is substantially distorted octahedral. There are two relatively strong intramolecular hydrogen bonds in the complex molecule. Additionally, two intermolecular hydrogen bonds associate complex molecules into columns running in the [1 [Image: see text] 0] and [110] directions. The Hirshfeld surface analysis shows that 45.7% of the intermolecular interactions are from H⋯H contacts, 24.7% are from O⋯H/H⋯O contacts and 18.8% are from C⋯H/H⋯C contacts, while other contributions are from N⋯H/H⋯N and O⋯O contacts. International Union of Crystallography 2023-08-30 /pmc/articles/PMC10483566/ /pubmed/37693679 http://dx.doi.org/10.1107/S2056989023007399 Text en © Razzoqova et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Razzoqova, Surayyo Ibragimov, Aziz Torambetov, Batirbay Kadirova, Shakhnoza Holczbauer, Tamas Ashurov, Jamshid Ibragimov, Bakhtiyar Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole |
title | Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole |
title_full | Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole |
title_fullStr | Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole |
title_full_unstemmed | Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole |
title_short | Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole |
title_sort | synthesis, structure and hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483566/ https://www.ncbi.nlm.nih.gov/pubmed/37693679 http://dx.doi.org/10.1107/S2056989023007399 |
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