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1-(1,3-Benzodioxol-5-yl)ethanone.

ABSTRACT: In the title compound, C(9)H(8)O(3), the dihedral angle between the mean planes of the benzene and dioxole rings is 1.4?(8)°, with the dioxole group in a slightly distorted envelope configuration with the flap C atom displaced by 0.0645?Å from the plane through the other four atoms. In the crystal, weak inter-molecular C-H?O hydrogen-bond inter-actions link the mol-ecules into chains propagating in [011]. The crystal packing exhibits weak ?-? inter-actions as evidenced by the relatively short distances [3.801?(9)?Å] between the centroids of adjacent benzene rings.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC2979689 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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1-(1,3-Benzodioxol-5-yl)ethanone.

Jasinski Jerry P JP Butcher Ray J RJ Hakim Al-Arique Q N M QN Yathirajan H S HS Narayana B B

Acta crystallographica. Section E, Structure reports online 20100116 Pt 2

In the title compound, C(9)H(8)O(3), the dihedral angle between the mean planes of the benzene and dioxole rings is 1.4 (8)°, with the dioxole group in a slightly distorted envelope configuration with the flap C atom displaced by 0.0645 Å from the plane through the other four atoms. In the crystal, weak inter-molecular C-H⋯O hydrogen-bond inter-actions link the mol-ecules into chains propagating in [011]. The crystal packing exhibits weak π-π inter-actions as evidenced by the relatively short di ...[more]

PMID: 21579805

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