Ontology highlight
ABSTRACT:
SUBMITTER: Khan MU
PROVIDER: S-EPMC3011398 | biostudies-literature | 2010 Nov
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20101117 Pt 12
The title mol-ecule, C(19)H(19)FN(4)S, displays C(s) mol-ecular symmetry, in which the crystallographic mirror plane bis-ects the adamantan-1-yl unit while the 3-fluoro-phenyl triazole ring is located on the mirror plane. The F atom of the 3-fluoro-phenyl ring is positionally disordered [occupancy ratio 0.9:0.1]. In the crystal, π-π inter-actions between the triazole and phenyl rings occur [centroid-centroid distance = 3.5849 (7) Å] and weak C-H⋯F inter-actions form a ribbon propagating in [010] ...[more]