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)

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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Main Authors: Kateryna Znovjyak, Maksym Seredyuk, Sergey O. Malinkin, Sergiu Shova, Lutfullo Soliev
Format: Article
Language:English
Published: International Union of Crystallography 2020-10-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
iron(ii) complex
thiocyanate complex
high spin state
trigonal distortion
crystal structure
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020012608
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spelling doaj-a826da99b2654d62964aba1c56bd88a72020-11-25T04:00:33ZengInternational 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
collection DOAJ
language English
format Article
sources DOAJ
author Kateryna Znovjyak
Maksym Seredyuk
Sergey O. Malinkin
Sergiu Shova
Lutfullo Soliev
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
author_facet Kateryna Znovjyak
Maksym Seredyuk
Sergey O. Malinkin
Sergiu Shova
Lutfullo Soliev
author_sort Kateryna Znovjyak
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_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_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_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)
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2020-10-01
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%).
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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AT sergeyomalinkin crystalstructureofn1n3bis1benzyl1h123triazol4ylmethylidene22dimethylpropane13diaminebisthiocyanatoknironii
AT sergiushova crystalstructureofn1n3bis1benzyl1h123triazol4ylmethylidene22dimethylpropane13diaminebisthiocyanatoknironii
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