Crystal structure of 1-chloroadamantane, C10H15Cl, in its plastic phase

Autor:	J.L. Sauvajol, M. Bee, J.P. Amoureux
Rok vydání:	1982
Předmět:	Diffraction Uniaxial crystal Chemistry Biophysics Crystal structure Condensed Matter Physics Rotation Molecular physics Symmetry (physics) Crystal Crystallography Phase (matter) Physical and Theoretical Chemistry Molecular Biology Single crystal
Zdroj:	Molecular Physics. 45:709-719
ISSN:	1362-3028 0026-8976
DOI:	10.1080/00268978200100551
Popis:	Single crystal X-ray diffraction data were collected and interpreted for the plastic phase of 1-chloroadamantane, C10H15Cl, at 293 K. The unit cell is face centred cubic with a = 9·974 (7) A, space group Fm3m, Z = 4. On the assumption of a rigid molecular skeleton, several types of orientational disorder were investigated: hindered reorientations between equally weighted orientations; free uniaxial rotation of the molecules about the C-Cl axis; and decomposition of the atomic orientational average density on symmetry adapted functions. With these three models agreement between observed and calculated structure factors is found, in which the C-Cl axis has six possible orientations along the fourfold axes of the crystal. The molecule performs quasi-free uniaxial rotation around the six equilibrium positions of the C-Cl axis.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d44ef5f84e588af7c029407162414715 https://doi.org/10.1080/00268978200100551 Zobrazit plný text záznamu