organic compounds
Open access
Two independent molecules (A and B) comprises the asymmetric unit of the title ester, C17H20OS. The phenyl ring is inclined with respect to the thiocarboxyl group, forming dihedral angles of 58.95 (6) (in molecule A) and 62.28 (6)° (in molecule B). In each independent molecule, one adamantyl methylene C atom is nearly coplanar with the thiocarboxyl group. The major difference between molecules A and B relates to the relationship between the S atom and the coplanar adamantyl methylene C atom [Ca—Cq—Cc—S torsion angles = 178.25 (8) and 6.81 (13)°, respectively; Ca = adamantyl methylene C atom, Cq = quaternary C atom and Cc = carbonyl C atom], whereby the S atom in molecule A has an anti relationship with the methylene C atom and in molecule B, the S atom is syn. In the crystal, C—Hπ interactions are formed leading to supramolecular layers in the ac plane.
organic compounds
Open access
In the title compound, C10H7N3OS2, the 16 non-H atoms are almost planar (r.m.s. deviation = 0.037 Å) and the S-bound methyl group is syn to the ketone O atom. In the crystal, centrosymmetrically related molecules are connected by pairs of C—HO interactions between the ketone O and methyl H atoms. The dimeric aggregates are connected into a linear supramolecular chain along the b axis via π–π interactions occurring between the five-membered and benzene rings [centroid–centroid distance = 3.6123 (9) Å]. The chains assemble into layers in the bc plane via SS interactions involving the endocyclic S atoms [SS = 3.4607 (6) and 3.4792 (6) Å].