Open AccessPolymorphism of 2-Adamantanone
Author(s) -
Ph. Négrier,
Marı́a Barrio,
Michela Romanini,
J. Ll. Tamarit,
Denise Mondieig,
А. И. Кривчиков,
Leszek Kępiński,
A. Jeżowski,
Daria Szewczyk
Publication year - 2014
Publication title -
crystal growth and design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.966
H-Index - 155
eISSN - 1528-7505
pISSN - 1528-7483
DOI - 10.1021/cg500313m
Subject(s) - monoclinic crystal system , orthorhombic crystal system , polymorphism (computer science) , metastability , phase diagram , crystallography , diffraction , thermal stability , lattice (music) , materials science , chemistry , phase (matter) , crystal structure , physics , genotype , optics , organic chemistry , biochemistry , acoustics , gene
International audienceThe 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
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