Ontology highlight
ABSTRACT:
SUBMITTER: Chazin EL
PROVIDER: S-EPMC5778491 | biostudies-literature | 2018 Jan
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Crystallographic communications 20180101 Pt 1
The crystal structures of 6-meth-oxy-1,3-benzoxa-thiol-2-one, C<sub>9</sub>H<sub>8</sub>O<sub>3</sub>S, (I), and 2-oxo-1,3-benzoxa-thiol-6-yl acetate, C<sub>9</sub>H<sub>6</sub>O<sub>4</sub>S, (II), are described. Compound (I) is almost planar (r.m.s. deviation for the non-H atoms = 0.011 Å), whereas (II) shows a substantial twist between the fused-ring system and the acetate substituent [dihedral angle = 74.42 (3)°]. For both structures, the bond distances in the heterocyclic ring suggest that ...[more]