Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]
The title compound, {[K4Ni2(C7H6N4O7)2]·4.8H2O}n, was obtained as a result of a template reaction between oxalohydrazidehydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed intermediate. The two independent [Ni(C7H6N4O7)]2– complex anions exhibit pseudo-C...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2021-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S205698902100205X |
| _version_ | 1818322894716928000 |
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| author | Maksym O. Plutenko Matti Haukka Alina O. Husak Turganbay S. Iskenderov Nurullo U. Mulloev |
| author_facet | Maksym O. Plutenko Matti Haukka Alina O. Husak Turganbay S. Iskenderov Nurullo U. Mulloev |
| author_sort | Maksym O. Plutenko |
| collection | DOAJ |
| description | The title compound, {[K4Ni2(C7H6N4O7)2]·4.8H2O}n, was obtained as a result of a template reaction between oxalohydrazidehydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed intermediate. The two independent [Ni(C7H6N4O7)]2– complex anions exhibit pseudo-CS symmetry and consist of an almost planar metal-containing fragment and a 1,3,5-oxadiazinane ring with a chair conformation disposed nearly perpendicularly with respect to the former. The central NiII atom has a square-planar N2O2 coordination arrangement formed by two amide N and two carboxylate O atoms. In the crystal, the nickel(II) complex anions form layers parallel to the ab plane. Neighboring complex anion layers are connected by layers of potassium cations for which two of the four independent cations are disordered over two sites [ratios of 0.54 (3):0.46 (3) and 0.9643 (15):0.0357 (15)]. The framework is stabilized by an extensive system of hydrogen bonds where the water molecules act as donors and the carboxylic O atoms, the amide O atoms and the oxadiazinane N atoms act as acceptors. |
| first_indexed | 2024-12-13T11:04:03Z |
| format | Article |
| id | doaj.art-1930512481b74865b174961268c131a1 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-13T11:04:03Z |
| publishDate | 2021-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-1930512481b74865b174961268c131a12022-12-21T23:49:09ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902021-03-0177329830410.1107/S205698902100205Xwm5595Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]Maksym O. Plutenko0Matti Haukka1Alina O. Husak2Turganbay S. Iskenderov3Nurullo U. Mulloev4Department of Chemistry, National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kyiv, UkraineDepartment of Chemistry, University of Jyvaskyla, P.O. Box 35, FI-40014 Jyvaskyla, FinlandDepartment of Chemistry, National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kyiv, UkraineDepartment of Chemistry, National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kyiv, UkraineThe Faculty of Physics, Tajik National University, Rudaki Avenue 17, 734025 Dushanbe, TajikistanThe title compound, {[K4Ni2(C7H6N4O7)2]·4.8H2O}n, was obtained as a result of a template reaction between oxalohydrazidehydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed intermediate. The two independent [Ni(C7H6N4O7)]2– complex anions exhibit pseudo-CS symmetry and consist of an almost planar metal-containing fragment and a 1,3,5-oxadiazinane ring with a chair conformation disposed nearly perpendicularly with respect to the former. The central NiII atom has a square-planar N2O2 coordination arrangement formed by two amide N and two carboxylate O atoms. In the crystal, the nickel(II) complex anions form layers parallel to the ab plane. Neighboring complex anion layers are connected by layers of potassium cations for which two of the four independent cations are disordered over two sites [ratios of 0.54 (3):0.46 (3) and 0.9643 (15):0.0357 (15)]. The framework is stabilized by an extensive system of hydrogen bonds where the water molecules act as donors and the carboxylic O atoms, the amide O atoms and the oxadiazinane N atoms act as acceptors.http://scripts.iucr.org/cgi-bin/paper?S205698902100205Xcrystal structurenickel(ii) complextemplate reactionpseudomacrocyclic ligandhydrazide-based ligandshape analysishirshfeld surface analysis |
| spellingShingle | Maksym O. Plutenko Matti Haukka Alina O. Husak Turganbay S. Iskenderov Nurullo U. Mulloev Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate] Acta Crystallographica Section E: Crystallographic Communications crystal structure nickel(ii) complex template reaction pseudomacrocyclic ligand hydrazide-based ligand shape analysis hirshfeld surface analysis |
| title | Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate] |
| title_full | Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate] |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate] |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate] |
| title_short | Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate] |
| title_sort | crystal structure and hirshfeld surface analysis of poly bis μ4 n n 1 3 5 oxadiazinane 3 5 diyl bis carbamoylmethanoato nickel ii tetrapotassium 4 8 hydrate |
| topic | crystal structure nickel(ii) complex template reaction pseudomacrocyclic ligand hydrazide-based ligand shape analysis hirshfeld surface analysis |
| url | http://scripts.iucr.org/cgi-bin/paper?S205698902100205X |
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