Ramos Riesco, M.Martínez Casado, F.J.López De Andrés, María SolGarcía Pérez, M.V.Redondo Yélamos, María IsabelTorres, M.R.Garrido, L.Rodríguez Cheda, J.A.2023-10-052023-10-052008Monotropic Polymorphism in Copper(II) Decanoate M. Ramos Riesco, F. J. Martínez Casado, S. López-Andrés, M. V. García Pérez, M. I. Redondo Yélamos, M. R. Torres, L. Garrido, and J. A. Rodríguez Cheda Crystal Growth & Design 2008 8 (7), 2547-2554 DOI: 10.1021/cg800196s1528-748310.1021/cg800196shttps://hdl.handle.net/20.500.14352/88150Copper(II) decanoate was synthesized, purified and studied by DSC, optical microscopy, XRD, and FTIR and C-13 NMR spectroscopies. Depending on the solvent used for crystallization two polymorphs were obtained. A combination of singlecrystal and powder XRD was used to study their structures. One of the polymorphs (recrystallized in n-heptane) has similar structure to that previously reported at room temperature: triclinic (a ) 7.94(1) Å, b ) 5.28(3) Å, c ) 28.13(5) Å; R ) 94.6(10)°, β = 97.1(5)°, γ ) 98.6(10)°). A single crystal of the second polymorph was obtained from an ethanol solution and has a triclinic structure (a ) 5.2035(1) Å, b ) 14.331(3) Å, c ) 16.440(4) Å; R ) 65.390(4)°, β = 86.889(4)°, γ ) 82.886(4)°). This polymorph is monotropic and was identified by calorimetry as the metastable form. Both room temperature crystalline polymorphs belong to the same space group, P1j . However, they differ in (1) unit cell parameters; (2) one is bilayered whereas the other presents a columnar distribution of the binuclear complexes inside a net of two-by-two interdigitated chains. Thermal coefficients for both polymorphs have been estimated by indexation of their powder X-ray patterns versus temperature. The FTIR and C-13 NMR techniques confirm the structural differences. Both polymorphs melt to the same columnar discotic liquid crystal (identified by optical microscopy), decomposing before reaching the clearing point.engAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/journal article1528-7505https://pubs.acs.org/doi/10.1021/cg800196sopen access548Copper (II)PolymorphismCrystalCristalografía (Geología)2211.04 Cristalografía