trans-Decahydronaphthalene (decalin) from powder diffraction data.

Stefan Eibl (1) , Andrew Fitch , Michela Brunelli (1) , Alexander Dominic Evans (2) , Philip Pattison , Marie Plazanet (3) , Mark Robert Johnson (1) , Christiane Alba-Simionesco (4) , Helmut Schober (1)

1 ILL - Institut Laue-Langevin
2 TIMA - Techniques de l'Informatique et de la Microélectronique pour l'Architecture des systèmes intégrés
3 LIPhy - Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères]
4 LCPO - Laboratoire de Chimie Physique D'Orsay

The title compound, C(10)H(18), a decalin stereoisomer, crystallizes with Z' = 0.5 in the space group P2(1)/n. The trans-decalin molecule is located on an inversion centre with both rings in a chair conformation, making for a quasi-flat overall shape. Despite the absence of hydrogen bonds, it crystallizes easily. In this work the unknown crystal structure of trans-decalin has been solved and refined using X-ray powder diffraction data.

Domaines: Chimie-Physique [physics.chem-ph]

Stefan Eibl, Andrew Fitch, Michela Brunelli, Alexander Dominic Evans, Philip Pattison, et al.. trans-Decahydronaphthalene (decalin) from powder diffraction data.. Acta Crystallographica Section C : Crystal Structure Communications [1968-2013], 2009, 65 (6), pp.278-80. ⟨10.1107/S0108270109013365⟩. ⟨hal-01091596⟩