Open AccessCrystal Structure and Infrared Spectroscopy of trans-[Cr(NCS)2(Me2tn)2][Cr(NCS)4(Me2tn)] Moiety
Author(s) -
Dohyun Moon,
JongHa Choi
Publication year - 2021
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2021.23083
Subject(s) - chemistry , triclinic crystal system , crystallography , crystal structure , octahedron , chromium , hydrogen bond , bond length , moiety , infrared spectroscopy , isopropyl , octahedral molecular geometry , molecule , stereochemistry , medicinal chemistry , organic chemistry
A novel double complex, trans-[Cr(NCS)2(Me2tn)2][Cr(NCS)4(Me2tn)]·NaSCN·i-PrOH, (1) (Me2tn =2,2-dimethyl-1,3-propanediamine, C5H14N2; i-PrOH = isopropyl alcohol), was prepared and its structurewas determined by single-crystal X-ray diffraction at 95 K. The complex 1 crystallized in the spacegroup P1 of the triclinic system with two nuclear formula units in a cell of dimensions a = 13.220(3),b = 13.699(3), c = 15.087(3) Å and α = 116.193(3), β = 102.73(3) and γ = 104.48(3)°. X-ray structuralanalysis revealed two crystallo-graphically independent Cr(III) complex cations in the complex 1.The asymmetric unit contains two halves of trans-[Cr(NCS)2(Me2tn)2]+ cations (2 and 3), onecis-[Cr(NCS)4(Me2tn)]− anion (4), one NaSCN salt and one isopropyl alcohol molecule. In two independentcomplex cations, the chromium(III) ions are coordinated by four N atoms of two chelating Me2tn andtwo NCS groups in a distorted octahedral geometry while the chromium(III) ion incis-[Cr(NCS)4(Me2tn)]- has a distorted octahedral coordination with two N atoms of one Me2tn andfour NCS groups. The two six-membered rings in trans-[Cr(NCS)2(Me2tn)2]+ cations adopt both antichair-chair conformations. The Cr–N(Me2tn) bond lengths range from 2.0624(18) to 2.0877(16) Å,while the Cr–N(NCS) bond lengths range from 2.0718(16) to 2.0428 (16) Å. The crystal lattice isstabilized by hydrogen bonding interactions among the NH groups of the Me2tn ligand, OH group ofi-PrOH and the S atoms of the NCS groups. The infrared spectral properties are also described.