Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4]
The reaction of NiCl2 with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C4H2O4)(C6H6N2O)2(H2O)2]n. The NiII cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinamide ligands and two water...
| मुख्य लेखकों: | , , |
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| स्वरूप: | लेख |
| भाषा: | English |
| प्रकाशित: |
International Union of Crystallography
2018-09-01
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| श्रृंखला: | Acta Crystallographica Section E: Crystallographic Communications |
| विषय: | |
| ऑनलाइन पहुंच: | http://scripts.iucr.org/cgi-bin/paper?S2056989018011489 |
| _version_ | 1828143408402661376 |
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| author | Sevgi Kansiz Necmi Dege Valentina A. Kalibabchuk |
| author_facet | Sevgi Kansiz Necmi Dege Valentina A. Kalibabchuk |
| author_sort | Sevgi Kansiz |
| collection | DOAJ |
| description | The reaction of NiCl2 with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C4H2O4)(C6H6N2O)2(H2O)2]n. The NiII cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinamide ligands and two water molecules in a distorted octahedral fashion. In the crystal, the fumarate dianions bridge the NiII cations, forming polymeric chains propagating along the [101] direction; the polymeric chains are further linked by O—H...O, N—H...O and C—H...O hydrogen bonds, forming a three-dimensional supramolecular architecture. Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H...O/O...H (35.9%), H...H (31.7%) and C...C (10.4%) interactions. |
| first_indexed | 2024-04-11T19:56:44Z |
| format | Article |
| id | doaj.art-37b46c45e33c46c58c9b51b3b129e5dd |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T19:56:44Z |
| publishDate | 2018-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-37b46c45e33c46c58c9b51b3b129e5dd2022-12-22T04:05:58ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902018-09-017491263126610.1107/S2056989018011489xu5933Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4]Sevgi Kansiz0Necmi Dege1Valentina A. Kalibabchuk2Ondokuz Mayıs University, Faculty of Arts and Sciences, Department of Physics, 55139, Kurupelit, Samsun, TurkeyOndokuz Mayıs University, Faculty of Arts and Sciences, Department of Physics, 55139, Kurupelit, Samsun, TurkeyDepartment of General Chemistry, O. O. Bohomolets National Medical University, Shevchenko Blvd. 13, 01601 Kiev, UkraineThe reaction of NiCl2 with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C4H2O4)(C6H6N2O)2(H2O)2]n. The NiII cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N atoms from nicotinamide ligands and two water molecules in a distorted octahedral fashion. In the crystal, the fumarate dianions bridge the NiII cations, forming polymeric chains propagating along the [101] direction; the polymeric chains are further linked by O—H...O, N—H...O and C—H...O hydrogen bonds, forming a three-dimensional supramolecular architecture. Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H...O/O...H (35.9%), H...H (31.7%) and C...C (10.4%) interactions.http://scripts.iucr.org/cgi-bin/paper?S2056989018011489crystal structurefumaric acidnicotinamidenickel(II)Hirshfeld surfaces |
| spellingShingle | Sevgi Kansiz Necmi Dege Valentina A. Kalibabchuk Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4] Acta Crystallographica Section E: Crystallographic Communications crystal structure fumaric acid nicotinamide nickel(II) Hirshfeld surfaces |
| title | Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4] |
| title_full | Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4] |
| title_fullStr | Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4] |
| title_full_unstemmed | Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4] |
| title_short | Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4] |
| title_sort | synthesis crystal structure and hirshfeld surface analysis of a 1d coordination polymer catena poly diaquabis nicotinamide κn1 nickel ii μ fumarato κ2o1 o4 |
| topic | crystal structure fumaric acid nicotinamide nickel(II) Hirshfeld surfaces |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989018011489 |
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