2-{[(3-Fluoro­phen­yl)amino]­methyl­idene}-3-oxobutane­nitrile and 5-{[(3-fluoro­phen­yl)amino]­methyl­idene}-2,2-dimethyl-1,3-dioxane-4,6-dione: X-ray and DFT studies

Langer, V.; Mach, P.; Smrčok, Ľ.; Milata, V.; Plevová, K.

doi:10.1107/S0108270110023334

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 1
The atom-numbering scheme for (I)

, with atomic displacement ellipsoids drawn at the 50% probability level. Note that F3 and H5 have 0.890 (1) occupancy, while F5/H3 has an occupancy of 0.110 (1). The occupancies of the H atoms attached to C10 were fixed to 50%.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 66| Part 8| August 2010| Pages o392-o395

doi:10.1107/S0108270110023334

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