Abstract
The asymmetric unit of the title compound, C12H22N+·CH3O3S-, consists of three (3,5-di-methyl-adamantan-1-yl)ammonium cations, C12H22N+, and three methane-sulfonate anions, CH3O3S-. In the crystal, the cations and anions associate via N-H⋯O hydrogen bonds into layers, parallel to the (001) plane, which include large supra-molecular hydrogen-bonded rings.
Highlights
The asymmetric unit of (3,5-dimethyladamantan-1-yl)ammonium methanesulfonate, (I) (Fig. 1) consists of three crystallographically independent (3,5-dimethyladamantan-1-yl)ammonium cations and three methanesulfonate anions
Database survey A search of the Cambridge Structural Database (CSD version 5.40, update of November 2018; Groom et al, 2016) for structures containing the (3,5-dimethyladamantan-1-yl)ammonium cation gave four hits: (3,5-dimethyl-1-adamantyl)ammonium chloride hydrate (DUCYAC; Lou et al, 2009), 3,5dimethyladamantane-1-ammonium cucurbit[8]uril chloride hexacosahydrate (GAWLIC, Hostaset al., 2016), cucurbit[7]uril memantine clathrate chloride hydrate (SULZIJ, McInnes et al, 2010) and 3,5-dimethyladamantan-1-yl
The crystal packing of the title compound is characterized by hydrogen-bonding interactions between the protonated amino groups of cations and the oxygen atoms of the methanesulfonate anions (Table 1, Fig. 2)
Summary
The asymmetric unit of (3,5-dimethyladamantan-1-yl)ammonium methanesulfonate, (I) (Fig. 1) consists of three crystallographically independent (3,5-dimethyladamantan-1-yl)ammonium cations and three methanesulfonate anions. The structure of the cations is rigid, with all four six-membered rings of the adamantane core of the (3,5-dimethyladamantan1-yl)ammonium cations assuming a typical chair conformation. No significant geometrical differences are observed between the independent cations, or between the methane-. They possess a plane of symmetry by which two enantiomorphic halves of the ion, containing chiral centers (C3 and C5, C15 and C17, C27 and C29), are reflections of each other. Tivity leads to the formation of supramolecular layers parallel to the (001) plane, which involve large hydrogen-bonded rings (Fig. 3). Database survey A search of the Cambridge Structural Database (CSD version 5.40, update of November 2018; Groom et al, 2016) for structures containing the (3,5-dimethyladamantan-1-yl)ammonium cation gave four hits: (3,5-dimethyl-1-adamantyl)ammonium chloride hydrate (DUCYAC; Lou et al, 2009), 3,5dimethyladamantane-1-ammonium cucurbit[8]uril chloride hexacosahydrate (GAWLIC, Hostaset al., 2016), cucurbit[7]uril memantine clathrate chloride hydrate (SULZIJ, McInnes et al, 2010) and 3,5-dimethyladamantan-1-yl-
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