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1-(1,3-Benzodioxol-5-yl)pentan-1-one.

ABSTRACT: In the mol-ecule of title compound, C(12)H(14)O(3), the benzodioxole ring system is essentially planar. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into chains along the c axis, and ?-? contacts between dioxole rings and between dioxole and benzene rings of the benzodioxole ring systems [centroid-centroid distances 3.702?(3) and 3.903?(3)?Å] may further stabilize the structure. Two C-H?? inter-actions are also found.

SUBMITTER: Wang XM

PROVIDER: S-EPMC2968086 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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1-(1,3-Benzodioxol-5-yl)pentan-1-one.

Wang Xiao-Ming XM Cheng Wei W Han Yu-Wang YW

Acta crystallographica. Section E, Structure reports online 20081220 Pt 1

In the mol-ecule of title compound, C(12)H(14)O(3), the benzodioxole ring system is essentially planar. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into chains along the c axis, and π-π contacts between dioxole rings and between dioxole and benzene rings of the benzodioxole ring systems [centroid-centroid distances 3.702 (3) and 3.903 (3) Å] may further stabilize the structure. Two C-H⋯π inter-actions are also found. ...[more]

PMID: 21581632

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