Co(abpt)2(NCS)2 and Ni(abpt)2(NCS)2: Structural Characterisation of Polymorphs A and B

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

doi:10.1107/S2053229621010251

Co(abpt)₂(NCS)₂ and Ni(abpt)₂(NCS)₂: Structural Characterisation of Polymorphs A and B

Helen E. Mason, Judith A. K. Howard, Hazel A Sparkes^*

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article (Academic Journal) › peer-review

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Abstract

The synthesis and structures of Co(abpt)₂(NCS)₂ and Ni(abpt)₂(NCS)₂ are reported. In both cases two polymorphs, A and B, were identified and structurally characterised. For both polymorphs the structures obtained with the different metals, i.e. Co(II) or Ni(II), 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 for a thermal spin crossover was observed for either of the Co(abpt)₂(NCS)₂ polymorphs between 300(2) and 120(2) K.

Original language	English
Pages (from-to)	777-781
Number of pages	30
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	77
Issue number	12
Early online date	16 Nov 2021
DOIs	https://doi.org/10.1107/S2053229621010251
Publication status	Published - 1 Dec 2021

Keywords

polymorphism
abp
crystal structure
4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole

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title = "Co(abpt)2(NCS)2 and Ni(abpt)2(NCS)2: Structural Characterisation of Polymorphs A and B",

abstract = "The synthesis and structures of Co(abpt)2(NCS)2 and Ni(abpt)2(NCS)2 are reported. In both cases two polymorphs, A and B, were identified and structurally characterised. For both polymorphs the structures obtained with the different metals, i.e. Co(II) or Ni(II), 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 for a thermal spin crossover was observed for either of the Co(abpt)2(NCS)2 polymorphs between 300(2) and 120(2) K.",

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author = "Mason, {Helen E.} and Howard, {Judith A. K.} and Sparkes, {Hazel A}",

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T1 - Co(abpt)2(NCS)2 and Ni(abpt)2(NCS)2: Structural Characterisation of Polymorphs A and B

AU - Mason, Helen E.

AU - Howard, Judith A. K.

AU - Sparkes, Hazel A

PY - 2021/12/1

Y1 - 2021/12/1

N2 - The synthesis and structures of Co(abpt)2(NCS)2 and Ni(abpt)2(NCS)2 are reported. In both cases two polymorphs, A and B, were identified and structurally characterised. For both polymorphs the structures obtained with the different metals, i.e. Co(II) or Ni(II), 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 for a thermal spin crossover was observed for either of the Co(abpt)2(NCS)2 polymorphs between 300(2) and 120(2) K.

AB - The synthesis and structures of Co(abpt)2(NCS)2 and Ni(abpt)2(NCS)2 are reported. In both cases two polymorphs, A and B, were identified and structurally characterised. For both polymorphs the structures obtained with the different metals, i.e. Co(II) or Ni(II), 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 for a thermal spin crossover was observed for either of the Co(abpt)2(NCS)2 polymorphs between 300(2) and 120(2) K.

KW - polymorphism

KW - abp

KW - crystal structure

KW - 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole

U2 - 10.1107/S2053229621010251

DO - 10.1107/S2053229621010251

M3 - Article (Academic Journal)

C2 - 34864720

SN - 0108-2701

VL - 77

SP - 777

EP - 781

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

IS - 12

ER -