Mason Helen E, Howard Judith A K, Sparkes Hazel A
Department of Chemistry, Durham University, South Road, Durham DH1 3LE, United Kingdom.
School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, United Kingdom.
Acta Crystallogr C Struct Chem. 2021 Dec 1;77(Pt 12):777-781. doi: 10.1107/S2053229621010251. Epub 2021 Nov 16.
The synthesis and structures of bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κN,N]bis(thiocyanato-κN)cobalt(II), [Co(NCS)(CHN)] or Co(NCS)(abpt), and bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κN,N]bis(thiocyanato-κN)nickel(II), [Ni(NCS)(CHN)] or Ni(NCS)(abpt), are reported. In both cases, two polymorphs, A and B, were identified and structurally characterized. For both polymorphs, the structures obtained with the different metals, i.e. Co or Ni, were found to be isostructural. All of the structures contained an intramolecular N-H...N hydrogen bond, C-H...N interactions and π-π stacking interactions. No structural evidence was observed for a thermal spin crossover for either of the Co(NCS)(abpt) polymorphs between 300 (2) and 120 (2) K.
报道了双[4-氨基-3,5-双（吡啶-2-基）-1,2,4-三唑-κN,N]双（硫氰酸根-κN）钴（II），即[Co(NCS)(CHN)]或Co(NCS)(abpt)，以及双[4-氨基-3,5-双（吡啶-2-基）-1,2,4-三唑-κN,N]双（硫氰酸根-κN）镍（II），即[Ni(NCS)(CHN)]或Ni(NCS)(abpt)的合成与结构。在这两种情况下，均鉴定出两种多晶型物A和B，并对其进行了结构表征。对于这两种多晶型物，发现用不同金属（即Co或Ni）得到的结构是同构的。所有结构均包含分子内N-H...N氢键、C-H...N相互作用和π-π堆积相互作用。在300(2)至120(2)K之间，未观察到Co(NCS)(abpt)两种多晶型物中任何一种存在热自旋交叉的结构证据。
