Crystal structure of {N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II)
The unit cell of the title compound, [FeII(NCS)2(C25H28N8)], consists of two charge-neutral complex molecules related by an inversion centre. In the complex molecule, the tetradentate ligand N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylene]-2,2-dimethylpropane-1,3-diamine coordinates to the FeII...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2020-10-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989020012608 |
| _version_ | 1828129757875666944 |
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| author | Kateryna Znovjyak Maksym Seredyuk Sergey O. Malinkin Sergiu Shova Lutfullo Soliev |
| author_facet | Kateryna Znovjyak Maksym Seredyuk Sergey O. Malinkin Sergiu Shova Lutfullo Soliev |
| author_sort | Kateryna Znovjyak |
| collection | DOAJ |
| description | The unit cell of the title compound, [FeII(NCS)2(C25H28N8)], consists of two charge-neutral complex molecules related by an inversion centre. In the complex molecule, the tetradentate ligand N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylene]-2,2-dimethylpropane-1,3-diamine coordinates to the FeII ion through the N atoms of the 1,2,3-triazole moieties and aldimine groups. Two thiocyanate anions, coordinating through their N atoms, complete the coordination sphere of the central ion. In the crystal, neighbouring molecules are linked through weak C—H...π, C—H...S and C—H...N interactions into a two-dimensional network extending parallel to (011). The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H...H (35.2%), H...C/C...H (26.4%), H...S/S...H (19.3%) and H...N/N...H (13.9%). |
| first_indexed | 2024-04-11T16:23:37Z |
| format | Article |
| id | doaj.art-a826da99b2654d62964aba1c56bd88a7 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T16:23:37Z |
| publishDate | 2020-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-a826da99b2654d62964aba1c56bd88a72022-12-22T04:14:14ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-10-0176101661166410.1107/S2056989020012608wm5580Crystal structure of {N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II)Kateryna Znovjyak0Maksym Seredyuk1Sergey O. Malinkin2Sergiu Shova3Lutfullo Soliev4Department of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska Street 64, Kyiv, 01601, UkraineDepartment of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska Street 64, Kyiv, 01601, UkraineDepartment of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska Street 64, Kyiv, 01601, UkraineDepartment of Inorganic Polymers, "Petru Poni" Institute of Macromolecular, Chemistry, Romanian Academy of Science, Aleea Grigore Ghica Voda 41-A, Iasi, 700487, RomaniaDepartment of General and Inorganic Chemistry, Faculty of Chemistry, Tajik State Pedagogical University, Rudaki 121, 734003 Dushanbe, TajikistanThe unit cell of the title compound, [FeII(NCS)2(C25H28N8)], consists of two charge-neutral complex molecules related by an inversion centre. In the complex molecule, the tetradentate ligand N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylene]-2,2-dimethylpropane-1,3-diamine coordinates to the FeII ion through the N atoms of the 1,2,3-triazole moieties and aldimine groups. Two thiocyanate anions, coordinating through their N atoms, complete the coordination sphere of the central ion. In the crystal, neighbouring molecules are linked through weak C—H...π, C—H...S and C—H...N interactions into a two-dimensional network extending parallel to (011). The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H...H (35.2%), H...C/C...H (26.4%), H...S/S...H (19.3%) and H...N/N...H (13.9%).http://scripts.iucr.org/cgi-bin/paper?S2056989020012608iron(ii) complexthiocyanate complexhigh spin statetrigonal distortioncrystal structure |
| spellingShingle | Kateryna Znovjyak Maksym Seredyuk Sergey O. Malinkin Sergiu Shova Lutfullo Soliev Crystal structure of {N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) Acta Crystallographica Section E: Crystallographic Communications iron(ii) complex thiocyanate complex high spin state trigonal distortion crystal structure |
| title | Crystal structure of {N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
| title_full | Crystal structure of {N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
| title_fullStr | Crystal structure of {N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
| title_full_unstemmed | Crystal structure of {N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
| title_short | Crystal structure of {N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)iron(II) |
| title_sort | crystal structure of n1 n3 bis 1 benzyl 1h 1 2 3 triazol 4 yl methylidene 2 2 dimethylpropane 1 3 diamine bis thiocyanato κn iron ii |
| topic | iron(ii) complex thiocyanate complex high spin state trigonal distortion crystal structure |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989020012608 |
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