Co(NCS)2(abpt)2 and Ni(NCS)2(abpt)2 [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B

Mason, Helen E.; Howard, Judith A.K.; Sparkes, Hazel A.

Abstract

The synthesis and structures of bis­[4-amino-3,5-bis­(pyridin-2-yl)-1,2,4-triazole-κ2N2,N3]bis­(thio­cyanato-κN)cobalt(II), [Co(NCS)2(C12H10N6)2] or Co(NCS)2(abpt)2, and bis­[4-amino-3,5-bis­(pyridin-2-yl)-1,2,4-triazole-κ2N2,N3]bis­(thio­cyan­ato-κN)nickel(II), [Ni(NCS)2(C12H10N6)2] or Ni(NCS)2(abpt)2, 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. CoII or NiII, 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)2(abpt)2 polymorphs between 300 (2) and 120 (2) K.

Citation

Mason, H. E., Howard, J. A., & Sparkes, H. A. (2021). Co(NCS)2(abpt)2 and Ni(NCS)2(abpt)2 [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B. Acta Crystallographica Section C: Structural Chemistry, 77(12), 777-781. https://doi.org/10.1107/s2053229621010251

• Journal Article Type: Article
• Acceptance Date: Oct 4, 2021
• Online Publication Date: Nov 16, 2021
• Publication Date: 2021-12
• Deposit Date: Feb 9, 2022
• Publicly Available Date: Feb 10, 2022
• Journal: Acta Crystallographica Section C Structural Chemistry
• Electronic ISSN: 2053-2296
• Publisher: International Union of Crystallography
• Peer Reviewed: Peer Reviewed
• Volume: 77
• Issue: 12
• Pages: 777-781
• DOI: https://doi.org/10.1107/s2053229621010251
• Public URL: https://durham-repository.worktribe.com/output/1214678