Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate
In the title complex, [Ni(C6H6N3OS)2]·2CH3OH, the NiII atom is coordinated by the S and N atoms of two N′-[(Z)-(furan-2-yl)methylidene]carbamohydrazonothioic acid ligands in a distorted square-planar geometry. The two mutual ligands bound to NiII are also connected by C—H...S interactions, while the...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2023-07-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989023005182 |
| _version_ | 1797692256975585280 |
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| author | Asmet N. Azizova Gunay Z. Mammadova Sevim Türktekin Çelikesir Mehmet Akkurt Ajaya Bhattarai |
| author_facet | Asmet N. Azizova Gunay Z. Mammadova Sevim Türktekin Çelikesir Mehmet Akkurt Ajaya Bhattarai |
| author_sort | Asmet N. Azizova |
| collection | DOAJ |
| description | In the title complex, [Ni(C6H6N3OS)2]·2CH3OH, the NiII atom is coordinated by the S and N atoms of two N′-[(Z)-(furan-2-yl)methylidene]carbamohydrazonothioic acid ligands in a distorted square-planar geometry. The two mutual ligands bound to NiII are also connected by C—H...S interactions, while the H atoms of the NH2 group of the ligands form R44(8) motifs with the O atoms of the solvent ethyl alcohol molecules. At the same time, the OH groups of the solvent ethyl alcohol molecules form parallel layers to the (011) plane by the O—H...N interactions with the ligand N atom that is not bonded to the NiII atom.. The layers are connected by van der Waals interactions. A Hirshfeld surface analysis indicates that the most important contacts are H...H (37.7%), C...H/H...C (14.6%), O...H/H...O (11.5%) and S...H/H...S (10.6%). |
| first_indexed | 2024-03-12T02:25:58Z |
| format | Article |
| id | doaj.art-619568616e6248409d2b247af7589eec |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-03-12T02:25:58Z |
| publishDate | 2023-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-619568616e6248409d2b247af7589eec2023-09-05T13:04:52ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902023-07-0179766967310.1107/S2056989023005182jy2031Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvateAsmet N. Azizova0Gunay Z. Mammadova1Sevim Türktekin Çelikesir2Mehmet Akkurt3Ajaya Bhattarai4Department of Synthesis of Biologically Active Compounds, Scientific Research Center, Azerbaijan Medical University, Samed Vurgun St. 167, Az 1022 Baku, AzerbaijanOrganic Chemistry Department, Baku State University, Z. Xalilov Str. 23, Az 1148 Baku, AzerbaijanDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TürkiyeDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TürkiyeDepartment of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, NepalIn the title complex, [Ni(C6H6N3OS)2]·2CH3OH, the NiII atom is coordinated by the S and N atoms of two N′-[(Z)-(furan-2-yl)methylidene]carbamohydrazonothioic acid ligands in a distorted square-planar geometry. The two mutual ligands bound to NiII are also connected by C—H...S interactions, while the H atoms of the NH2 group of the ligands form R44(8) motifs with the O atoms of the solvent ethyl alcohol molecules. At the same time, the OH groups of the solvent ethyl alcohol molecules form parallel layers to the (011) plane by the O—H...N interactions with the ligand N atom that is not bonded to the NiII atom.. The layers are connected by van der Waals interactions. A Hirshfeld surface analysis indicates that the most important contacts are H...H (37.7%), C...H/H...C (14.6%), O...H/H...O (11.5%) and S...H/H...S (10.6%).http://scripts.iucr.org/cgi-bin/paper?S2056989023005182crystal structureligandsdistorted square-planar geometryhydrogen bondshirshfeld surface analysis |
| spellingShingle | Asmet N. Azizova Gunay Z. Mammadova Sevim Türktekin Çelikesir Mehmet Akkurt Ajaya Bhattarai Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate Acta Crystallographica Section E: Crystallographic Communications crystal structure ligands distorted square-planar geometry hydrogen bonds hirshfeld surface analysis |
| title | Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate |
| title_full | Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate |
| title_short | Crystal structure and Hirshfeld surface analysis of bis{(Z)-N′-[(E)-(furan-2-yl)methylidene]carbamohydrazonothioato}nickel(II) methanol disolvate |
| title_sort | crystal structure and hirshfeld surface analysis of bis z n e furan 2 yl methylidene carbamohydrazonothioato nickel ii methanol disolvate |
| topic | crystal structure ligands distorted square-planar geometry hydrogen bonds hirshfeld surface analysis |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989023005182 |
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