NÉGRIER, Philippe; BARRIO, M.; ROMANINI, M.; TAMARIT, Josep Lluis; MONDIEIG, Denise; KRIVCHIKOV, A. I.; KEPINSKI, L.; JEZOWSKI, A.; SZEWCZYK, D.

doi:10.1021/cg500313m

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NÉGRIER, Philippe
Laboratoire Ondes et Matière d'Aquitaine [LOMA]

BARRIO, M.
Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]

ROMANINI, M.
Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]

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Crystal Growth & Design. 2014, vol. 14, n° 5, p. 2626-2632

American Chemical Society

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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.< Réduire

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Polymorphism of 2-Adamantanone

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