Polymorphism of 2-Adamantanone

Philippe Négrier (1) , M. Barrio (2) , M. Romanini (2) , Josep Lluis Tamarit (2) , Denise Mondieig (1) , A. I. Krivchikov (3) , L. Kepinski (4) , A. Jezowski (4) , D. Szewczyk (4)

1 LOMA - Laboratoire Ondes et Matière d'Aquitaine
2 ETSEIB - Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone]
3 ILTPE - B. Verkin Institute for Low Temperature Physics and Engineering
4 Institute of Low Temperature and Structure Research [Polish Academy of Sciences]

The polymorphism of 2-adamantanone (C10H14O) has been investigated by means of X-ray diffraction and high-pressure thermal analysis. The intricate behavior of the low-temperature crystalline phases has been disentangled. The stable phase has been found to be orthorhombic (Cmc21, Z = 4), fully ordered, with lattice parameters a = 6.8884(18) Å, b = 10.830(3) Å, c = 10.658(3) Å, and V/Z = 198.8(1) Å3. The metastable phase was determined to be monoclinic (P21/c, Z = 4) with lattice parameters a = 6.5920(17) Å, b = 11.118(3) Å, c = 12.589(3) Å, beta= 118.869(11) °, and V/Z = 202.0(1) Å3. The pressure-temperature phase diagram irrefutably shows the stability relation between both phases and, accordingly, the long-time unknown polymorphic behavior is now revealed and gives coherent physical explanation of the literature published so far.

Domaines: Cristallographie

Philippe Négrier, M. Barrio, M. Romanini, Josep Lluis Tamarit, Denise Mondieig, et al.. Polymorphism of 2-Adamantanone. Crystal Growth & Design, 2014, 14 (5), pp.2626-2632. ⟨10.1021/cg500313m⟩. ⟨hal-00999243⟩