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A redetermination of the structure and Hirshfeld surface analysis of poly[di-aquadi-μ-hydroxido-tetra-kis-(μ-nicotinato N-oxide)tricopper(II)].

ABSTRACT: The product obtained from the reaction of pyridine-2,3-di-carb-oxy-lic acid and hydrated copper(II) chloride in hot aqueous NaOH solution was determined by low temperature X-ray diffraction to be [Cu₃(C₆H₄NO₃)₄(OH)₂(H₂O)₂] _n or [Cu₃(μ-OH)₂(μ-nicNO)₄(H₂O)₂] _n (nicNO is pyridine-3-carboxyl-ate N-oxide), a structure obtained from room temperature data and reported previously. The present determination is improved in quality and treatment of the H atoms. A Hirshfeld surface analysis of the inter-molecular inter-actions is presented.

SUBMITTER: Mirzaei M

PROVIDER: S-EPMC8061101 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature

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A redetermination of the structure and Hirshfeld surface analysis of poly[di-aquadi-μ-hydroxido-tetra-kis-(μ-nicotinato N-oxide)tricopper(II)].

Mirzaei Masoud M Bazargan Maryam M Ebtehaj Pouria P Mague Joel T JT

Acta crystallographica. Section E, Crystallographic communications 20210226 Pt 3

The product obtained from the reaction of pyridine-2,3-di-carb-oxy-lic acid and hydrated copper(II) chloride in hot aqueous NaOH solution was determined by low temperature X-ray diffraction to be [Cu3(C6H4NO3)4(OH)2(H2O)2] n or [Cu3(μ-OH)2(μ-nicNO)4(H2O)2] n (nicNO is pyridine-3-carboxyl-ate N-oxide), a structure ...[more]

PMID: 33953957

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