title: A co-crystal between benzene and ethane: a potential evaporite material for Saturn's moon Titan.
abstract: Using synchrotron X-ray powder diffraction, the structure of a co-crystal between benzene and ethane formed in situ at cryogenic conditions has been determined, and validated using dispersion-corrected density functional theory calculations. The structure comprises a lattice of benzene molecules hosting ethane molecules within channels. Similarity between the intermolecular interactions found in the co-crystal and in pure benzene indicate that the C-H⋯π network of benzene is maintained in the co-crystal, however, this expands to accommodate the guest ethane molecules. The co-crystal has a 3:1 benzene:ethane stoichiometry and is described in the space group [Formula: see text] with a = 15.977 (1) Å and c = 5.581 (1) Å at 90 K, with a density of 1.067 g cm(-3). The conditions under which this co-crystal forms identify it is a potential that forms from evaporation of Saturn's moon Titan's lakes, an evaporite material.
authors.affiliation: Bragg Institute, Australian Nuclear Science and Technology Organisation , Locked Bag 2001, Kirrawee DC, NSW 2232, Australia.
authors.forename: Helen E
authors.initials: HE
authors.lastname: Maynard-Casely
authors.affiliation: Jet Propulsion Laboratory, California Institute of Technology , 4800 Oak Grove Drive, Pasadena, CA 91109, USA.
authors.forename: Robert
authors.initials: R
authors.lastname: Hodyss
authors.affiliation: Jet Propulsion Laboratory, California Institute of Technology , 4800 Oak Grove Drive, Pasadena, CA 91109, USA.
authors.forename: Morgan L
authors.initials: ML
authors.lastname: Cable
authors.affiliation: Jet Propulsion Laboratory, California Institute of Technology , 4800 Oak Grove Drive, Pasadena, CA 91109, USA.
authors.forename: Tuan Hoang
authors.initials: TH
authors.lastname: Vu
authors.affiliation: Chemistry and Chemical Biology, Baker Laboratory, Cornell University , Ithaca, NY 14853, USA.
authors.forename: Martin
authors.initials: M
authors.lastname: Rahm
keywords: Titan; co-crystals; evaporite; molecular crystallography; synchrotron powder diffraction