{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 1)"],"submitter":["Wang XM"],"pubmed_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 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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o176"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2968086"],"repository":["biostudies-literature"],"pubmed_title":["1-(1,3-Benzodioxol-5-yl)pentan-1-one."],"pmcid":["PMC2968086"],"pubmed_authors":["Wang XM","Cheng W","Han YW"],"additional_accession":[]},"is_claimable":false,"name":"1-(1,3-Benzodioxol-5-yl)pentan-1-one.","description":"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.","dates":{"release":"2008-01-01T00:00:00Z","publication":"2008 Dec","modification":"2025-04-18T14:09:58.056Z","creation":"2019-03-27T00:00:04Z"},"accession":"S-EPMC2968086","cross_references":{"pubmed":["21581632"],"doi":["10.1107/S1600536808040257"]}}