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

In the molecule of title compound, C12H14O3, the benzodioxole ring system is essentially planar. In the crystal structure, weak intermolecular C—H...O hydrogen bonds link molecules into chains along the c axis, and π–π contacts between dioxole rings and between...

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Bibliographic Details
Main Authors: Xiao-Ming Wang, Wei Cheng, Yu-Wang Han
Format: Article
Language:English
Published: International Union of Crystallography 2009-01-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808040257
Description
Summary:In the molecule of title compound, C12H14O3, the benzodioxole ring system is essentially planar. In the crystal structure, weak intermolecular C—H...O hydrogen bonds link molecules 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 interactions are also found.
ISSN:1600-5368