The reaction between cadmium nitrate tetrahydrate and N,N′ -bis(pyridin-3-ylmethyl)oxalamide (L) in a 1:3 molar ratio in a water/acetonitrile (1:6 v/v) mixture afforded single crystals of compound 1 suitable for X-ray diffraction analysis. Compound 1 consists of the coordination polymer (CP) [[Cd(L)2 (OH2 )2 ](NO3 )2 ·4H2O]∞, in which CdII ions are bridged by neutral L antiperiplanar Nligands in a wavy ribbon fashion developed along the c-axis. Two trans-disposed water molecules complete the pseudo-octahedral coordination geometry of the metal ion. The crystal packing of 1 revealed the interplay between π–π stacking interactions and an intricate hydrogen-bonded network involving oxalamides, nitrates, and water molecules. The donor properties of L and the intermolecular interactions in compound 1 are interpreted based on hybrid-DFT calculations.

trans-catena-Poly[[(bis-(µ-N,N′-bis[(pyridin-3-yl)methyl]ethanediamide))-diaqua-cadmium(II)] bis(nitrate) tetrahydrate)]

Caria, Anna
Membro del Collaboration Group
;
Podda, Enrico
Membro del Collaboration Group
;
Aragoni, M. Carla
Membro del Collaboration Group
;
Pintus, Anna
Membro del Collaboration Group
;
Arca, Massimiliano
Supervision
2024-01-01

Abstract

The reaction between cadmium nitrate tetrahydrate and N,N′ -bis(pyridin-3-ylmethyl)oxalamide (L) in a 1:3 molar ratio in a water/acetonitrile (1:6 v/v) mixture afforded single crystals of compound 1 suitable for X-ray diffraction analysis. Compound 1 consists of the coordination polymer (CP) [[Cd(L)2 (OH2 )2 ](NO3 )2 ·4H2O]∞, in which CdII ions are bridged by neutral L antiperiplanar Nligands in a wavy ribbon fashion developed along the c-axis. Two trans-disposed water molecules complete the pseudo-octahedral coordination geometry of the metal ion. The crystal packing of 1 revealed the interplay between π–π stacking interactions and an intricate hydrogen-bonded network involving oxalamides, nitrates, and water molecules. The donor properties of L and the intermolecular interactions in compound 1 are interpreted based on hybrid-DFT calculations.
2024
oxalamide; oxalic acid derivatives; hydrogen bonding; Cd; XRD; DFT
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11584/416503
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