C17H 21 BrN 2 S, orthorhombic, Pbca (No. 61), a = 17.0675(7) Å,
CCDC no.: 1449483The asymmetric unit of the crystal structure is shown in the gure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Source of materialTo a solution of 1-adamantylamine (1.51 g, 0.01 mol) in ethanol (15 mL), 4-bromophenyl isothiocyanate (2.14 g, 0.01 mol) was added and the mixture was heated under re ux for three hours. On cooling, the precipitated crude product was ltered, dried and crystallized from ethanol to yield 3.36 g (92%) of the title compound (C17H 21 BrN 2 S) as transparent block crystals. M.P.:
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