In:
Acta Crystallographica Section C Structural Chemistry, International Union of Crystallography (IUCr), Vol. 76, No. 5 ( 2020-05-01), p. 412-418
Abstract:
With the new semi-rigid V-shaped bidentate pyridyl amide compound 5-methyl- N , N ′-bis(pyridin-4-yl)benzene-1,3-dicarboxamide ( L ) as an auxiliary ligand and the Fe II ion as the metal centre, one mononuclear complex, bis(methanol-κ O )bis[5-methyl- N , N ′-bis(pyridin-4-yl)benzene-1,3-dicarboxamide-κ N ]bis(thiocyanato-κ N )iron(II), [Fe(SCN) 2 (C 19 H 16 N 4 O 2 ) 2 (CH 3 OH) 2 ] ( 1 ), and one two-dimensional coordination polymer, catena -poly[[[bis(thiocyanato-κ N )iron(II)]-bis[μ-5-methyl- N , N ′-bis(pyridin-4-yl)benzene-1,3-dicarboxamide-κ 2 N : N ′]] methanol disolvate dihydrate] , {[Fe(SCN) 2 (C 19 H 16 N 4 O 2 ) 2 ]·2CH 3 OH·2H 2 O} n ( 2 ), were prepared by slow evaporation and H-tube diffusion methods, respectively, indicating the effect of the method of crystallization on the structure type of the target product. Both complexes have been structurally characterized by elemental analysis, IR spectroscopy and single-crystal X-ray crystallography. The single-crystal X-ray diffraction analysis shows that L functions as a monodentate ligand in mononuclear 1 , while it coordinates in a bidentate manner to two independent Fe(SCN) 2 units in complex 2 , with a different conformation from that in 1 and the ligands point in two almost orthogonal directions, therefore leading to a two-dimensional grid-like network. Investigation of the magnetic properties reveals the always high-spin state of the Fe II centre over the whole temperature range in 1 and a gradual thermally-induced incomplete spin crossover (SCO) behaviour below 150 K in 2 , demonstrating the influence of the different coordination fields on the spin properties of the metal ions. The current results provide useful information for the rational design of functional complexes with different structure dimensionalities by employing different conformations of the ligand and different crystallization methods.
Type of Medium:
Online Resource
ISSN:
2053-2296
DOI:
10.1107/S2053229620004854
DOI:
10.1107/S2053229620004854/lf3116sup1.cif
DOI:
10.1107/S2053229620004854/lf3116monosup2.hkl
DOI:
10.1107/S2053229620004854/lf31162Dsup3.hkl
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2020
detail.hit.zdb_id:
2025703-X
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