Ontology highlight
ABSTRACT:
SUBMITTER: Doi I
PROVIDER: S-EPMC3588297 | biostudies-literature | 2013 Jan
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20121222 Pt 1
In the title mol-ecule, C10H8O2, all non-H atoms are essentailly coplanar (r.m.s. deviation = 0.0192 Å), indicating an effective conjugation of the carbonyl group, the benzene ring and the lone pair of the propyn-yloxy O atom. In the crystal, π-π stacking inter-actions [centroid-centroid distance = 3.5585 (15) Å] connect mol-ecules into inversion dimers which are linked by Csp-H⋯O=C hydrogen bonds, forming a ladder-like structure. ...[more]