The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex
A copper(II) dimer with the deprotonated anion of 2-bromonicotinic acid (2-BrnicH), namely, tetrakis(μ-2-bromonicotinato-κ2O:O′)bis[aquacopper(II)](Cu—Cu), [Cu2(H2O)2(C6H3BrNO2)4] or [Cu2(H2O)2(2-Brnic)4], (1), was prepared by the reaction of copper(II) chloride dihydrate and 2-bromonicotinic acid i...
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International Union of Crystallography
2020-02-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989020000390 |
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| author | Nives Politeo Mateja Pisačić Marijana Đaković Vesna Sokol Boris-Marko Kukovec |
| author_facet | Nives Politeo Mateja Pisačić Marijana Đaković Vesna Sokol Boris-Marko Kukovec |
| author_sort | Nives Politeo |
| collection | DOAJ |
| description | A copper(II) dimer with the deprotonated anion of 2-bromonicotinic acid (2-BrnicH), namely, tetrakis(μ-2-bromonicotinato-κ2O:O′)bis[aquacopper(II)](Cu—Cu), [Cu2(H2O)2(C6H3BrNO2)4] or [Cu2(H2O)2(2-Brnic)4], (1), was prepared by the reaction of copper(II) chloride dihydrate and 2-bromonicotinic acid in water. The copper(II) ion in 1 has a distorted square-pyramidal coordination environment, achieved by four carboxylate O atoms in the basal plane and the water molecule in the apical position. The pair of symmetry-related copper(II) ions are connected into a centrosymmetric paddle-wheel dinuclear cluster [Cu...Cu = 2.6470 (11) Å] via four O,O′-bridging 2-bromonicotinate ligands in the syn-syn coordination mode. In the extended structure of 1, the cluster molecules are assembled into an infinite two-dimensional hydrogen-bonded network lying parallel to the (001) plane via strong O—H...O and O—H...N hydrogen bonds, leading to the formation of various hydrogen-bond ring motifs: dimeric R22(8) and R22(16) loops and a tetrameric R44(16) loop. The Hirshfeld surface analysis was also performed in order to better illustrate the nature and abundance of the intermolecular contacts in the structure of 1. |
| first_indexed | 2024-12-20T11:19:58Z |
| format | Article |
| id | doaj.art-335deb0585ac416b90563d28aac27563 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-20T11:19:58Z |
| publishDate | 2020-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-335deb0585ac416b90563d28aac275632022-12-21T19:42:32ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-02-0176222523010.1107/S2056989020000390hb7877The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complexNives Politeo0Mateja Pisačić1Marijana Đaković2Vesna Sokol3Boris-Marko Kukovec4Department of Physical Chemistry, Faculty of Chemistry and Technology, University of Split, Ruđera Boškovića 35, HR-21000 Split, CroatiaDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, HR-10000 Zagreb, CroatiaDepartment of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, HR-10000 Zagreb, CroatiaDepartment of Physical Chemistry, Faculty of Chemistry and Technology, University of Split, Ruđera Boškovića 35, HR-21000 Split, CroatiaDepartment of Physical Chemistry, Faculty of Chemistry and Technology, University of Split, Ruđera Boškovića 35, HR-21000 Split, CroatiaA copper(II) dimer with the deprotonated anion of 2-bromonicotinic acid (2-BrnicH), namely, tetrakis(μ-2-bromonicotinato-κ2O:O′)bis[aquacopper(II)](Cu—Cu), [Cu2(H2O)2(C6H3BrNO2)4] or [Cu2(H2O)2(2-Brnic)4], (1), was prepared by the reaction of copper(II) chloride dihydrate and 2-bromonicotinic acid in water. The copper(II) ion in 1 has a distorted square-pyramidal coordination environment, achieved by four carboxylate O atoms in the basal plane and the water molecule in the apical position. The pair of symmetry-related copper(II) ions are connected into a centrosymmetric paddle-wheel dinuclear cluster [Cu...Cu = 2.6470 (11) Å] via four O,O′-bridging 2-bromonicotinate ligands in the syn-syn coordination mode. In the extended structure of 1, the cluster molecules are assembled into an infinite two-dimensional hydrogen-bonded network lying parallel to the (001) plane via strong O—H...O and O—H...N hydrogen bonds, leading to the formation of various hydrogen-bond ring motifs: dimeric R22(8) and R22(16) loops and a tetrameric R44(16) loop. The Hirshfeld surface analysis was also performed in order to better illustrate the nature and abundance of the intermolecular contacts in the structure of 1.http://scripts.iucr.org/cgi-bin/paper?S2056989020000390crystal structurecopper(ii)2-bromonicotinic aciddinuclear paddle-wheel clusterhydrogen-bond motif |
| spellingShingle | Nives Politeo Mateja Pisačić Marijana Đaković Vesna Sokol Boris-Marko Kukovec The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex Acta Crystallographica Section E: Crystallographic Communications crystal structure copper(ii) 2-bromonicotinic acid dinuclear paddle-wheel cluster hydrogen-bond motif |
| title | The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex |
| title_full | The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex |
| title_fullStr | The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex |
| title_full_unstemmed | The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex |
| title_short | The first coordination compound of deprotonated 2-bromonicotinic acid: crystal structure of a dinuclear paddle-wheel copper(II) complex |
| title_sort | first coordination compound of deprotonated 2 bromonicotinic acid crystal structure of a dinuclear paddle wheel copper ii complex |
| topic | crystal structure copper(ii) 2-bromonicotinic acid dinuclear paddle-wheel cluster hydrogen-bond motif |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989020000390 |
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