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Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodi-thio-ate.

ABSTRACT: In the title compound, C15H14FNO3S2, the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024?Å) and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms) is 88.21?(11)°. In the crystal, inversion dimers linked by pairs of very weak C-H?F hydrogen bonds generate R 2 (2)(8) loops; C-H?O hydrogen bonds connect the dimers into [010] chains. Weak aromatic ?-? stacking inter-actions between the pyran rings of the chromene systems [centroid-centroid distance = 3.6940?(16)?Å] are also observed.

SUBMITTER: Anitha BR

PROVIDER: S-EPMC4719885 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodi-thio-ate.

Anitha B R BR Gunaseelan A Thomas AT Vinduvahini M M Kavitha H D HD Devarajegowda H C HC

Acta crystallographica. Section E, Crystallographic communications 20151114 Pt 12

In the title compound, C15H14FNO3S2, the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024 Å) and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms) is 88.21 (11)°. In the crystal, inversion dimers linked by pairs of very weak C-H⋯F hydrogen bonds generate R 2 (2)(8) loops; C-H⋯O hydrogen bonds connect the dimers into [010] chains. Weak aromatic π-π stacking inter-actions between the ...[more]

PMID: 26870532

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