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Crystal structure of {N 1,N 3-bis-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl-idene]-2,2-di-methyl-propane-1,3-di-amine}bis-(thio-cyanato-?N)iron(II).

ABSTRACT: The unit cell of the title compound, [FeII(NCS)2(C25H28N8)], consists of two charge-neutral complex mol-ecules related by an inversion centre. In the complex mol-ecule, the tetra-dentate ligand N 1,N 3-bis-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl-ene]-2,2-di-methyl-propane-1,3-di-amine coordinates to the FeII ion through the N atoms of the 1,2,3-triazole moieties and aldimine groups. Two thio-cyanate anions, coordinating through their N atoms, complete the coordination sphere of the central ion. In the crystal, neighbouring mol-ecules are linked through weak C-H??, C-H?S and C-H?N inter-actions into a two-dimensional network extending parallel to (011). The inter-molecular contacts were qu-anti-fied 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%).

SUBMITTER: Znovjyak K 

PROVIDER: S-EPMC7534255 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of {<i>N</i> <sup>1</sup>,<i>N</i> <sup>3</sup>-bis-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl-idene]-2,2-di-methyl-propane-1,3-di-amine}bis-(thio-cyanato-κ<i>N</i>)iron(II).

Znovjyak Kateryna K   Seredyuk Maksym M   Malinkin Sergey O SO   Shova Sergiu S   Soliev Lutfullo L  

Acta crystallographica. Section E, Crystallographic communications 20200922 Pt 10

The unit cell of the title compound, [Fe<sup>II</sup>(NCS)<sub>2</sub>(C<sub>25</sub>H<sub>28</sub>N<sub>8</sub>)], consists of two charge-neutral complex mol-ecules related by an inversion centre. In the complex mol-ecule, the tetra-dentate ligand <i>N</i> <sup>1</sup>,<i>N</i> <sup>3</sup>-bis-[(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl-ene]-2,2-di-methyl-propane-1,3-di-amine coordinates to the Fe<sup>II</sup> ion through the N atoms of the 1,2,3-triazole moieties and aldimine groups. Two t  ...[more]

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