Unknown

Dataset Information

0

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

ABSTRACT: The unit cell of the title compound, [FeII(NCS)2(C29H32N8O2)], consists of eight charge-neutral complex mol-ecules. In the complex mol-ecule, the tetra-dentate ligand N 1,N 3-bis-{[1-(4-meth-oxy-benz-yl)-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 and aldimine groups. Two thio-cyanate anions, coordinated through their N atoms, complete the coordination sphere of the central Fe ion. In the crystal, neighbouring mol-ecules are linked through weak C⋯C, C⋯N and C⋯S inter-actions into a one-dimensional chain running parallel to [010]. 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 (37.5%), H⋯C/C⋯H (24.7%), H⋯S/S⋯H (15.7%) and H⋯N/N⋯H (11.7%). The average Fe-N bond distance is 2.167 Å, indicating the high-spin state of the FeII ion, which does not change upon cooling, as demonstrated by low-temperature magnetic susceptibility measurements.

SUBMITTER: Znovjyak K 

PROVIDER: S-EPMC8100278 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

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

Znovjyak Kateryna K   Seredyuk Maksym M   Malinkin Sergey O SO   Golenya Iryna A IA   Sliva Tatiana Y TY   Shova Sergiu S   Mulloev Nurullo U NU  

Acta crystallographica. Section E, Crystallographic communications 20210409 Pt 5

The unit cell of the title compound, [Fe<sup>II</sup>(NCS)<sub>2</sub>(C<sub>29</sub>H<sub>32</sub>N<sub>8</sub>O<sub>2</sub>)], consists of eight charge-neutral complex mol-ecules. In the complex mol-ecule, the tetra-dentate ligand <i>N</i> <sup>1</sup>,<i>N</i> <sup>3</sup>-bis-{[1-(4-meth-oxy-benz-yl)-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 and aldimine groups. Two thio-cyanate  ...[more]

Similar Datasets

Unknown Crystal structure of {<i>N</i> <sup>1</sup>,<i>N</i> <sup>3</sup>-bis-[(1-<i>tert</i>-butyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl-idene]-2,2-di-methyl-propane-1,3-di-amine}-bis-(thio-cyanato)-iron(II).
| S-EPMC8100266 | biostudies-literature
Unknown 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).
| S-EPMC7534255 | biostudies-literature
Unknown Ethyl 4-{[1-(2,4-dichloro-benz-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}-8-(trifluoro-meth-yl)quinoline-3-carboxyl-ate.
| S-EPMC3470374 | biostudies-literature
Unknown {[2-Methyl-2-(phen-oxy-meth-yl)propane-1,3-di-yl]bis-(-oxy)}di-benzene.
| S-EPMC4011283 | biostudies-literature
Unknown 1,4-Bis[4-(meth-oxy-carbon-yl)benz-yl]-1H-1,2,4-triazol-4-ium bromide.
| S-EPMC3344652 | biostudies-literature
Unknown (E)-Benz-yl(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)amine.
| S-EPMC3998458 | biostudies-literature
Unknown Synthesis and crystal structure of 1,1'-bis-{[4-(pyridin-2-yl)-1,2,3-triazol-1-yl]meth-yl}ferrocene, and its complexation with Cu<sup>I</sup>.
| S-EPMC7534253 | biostudies-literature
Unknown Crystal structure of 2-{[1-(4-bromo-benz-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}naph-thalene-1,4-dione.
| S-EPMC4438838 | biostudies-literature
Unknown 1-{1-[2,8-Bis(trifluoro-meth-yl)-4-quin-olyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethanone.
| S-EPMC2983247 | biostudies-literature
Unknown 1-{4-[(1H-1,2,4-Triazol-1-yl)meth-yl]benz-yl}-1H-1,2,4-triazol-4-ium perchlorate.
| S-EPMC2983622 | biostudies-literature