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6-Meth-oxy-meth-oxy-7-trifluoro-methyl-1,3-benzodioxole-5-carbaldehyde.

ABSTRACT: The title compound, C(11)H(9)F(3)O(5), crystallizes with three mol-ecules in the asymmetric unit. One -CF(3) group is disordered by rotation, with the F atoms split over two sets of sites with occupancies which converged to 0.888?(6) and 0.112?(6). Weak ?-? inter-actions are observed between adjacent benzene rings [the shortest centroid-centroid distance is 3.8858?(4)?Å], resulting in the formation of a supra-molecular chain along [100].

SUBMITTER: Wang Y 

PROVIDER: S-EPMC3393257 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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6-Meth-oxy-meth-oxy-7-trifluoro-methyl-1,3-benzodioxole-5-carbaldehyde.

Wang Yanfeng Y   Pan Xinhui X   Liu Dexiu D   Lou Hong-Xiang HX  

Acta crystallographica. Section E, Structure reports online 20120602 Pt 7

The title compound, C(11)H(9)F(3)O(5), crystallizes with three mol-ecules in the asymmetric unit. One -CF(3) group is disordered by rotation, with the F atoms split over two sets of sites with occupancies which converged to 0.888 (6) and 0.112 (6). Weak π-π inter-actions are observed between adjacent benzene rings [the shortest centroid-centroid distance is 3.8858 (4) Å], resulting in the formation of a supra-molecular chain along [100]. ...[more]

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