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 3
Pairs of molecules in the structure of (I)

are linked by C2—H2⋯O1ⁱ hydrogen bonds. The C10—H10C⋯O1ⁱⁱⁱ hydrogen bond is not shown for the sake of clarity and H atoms not involved in the hydrogen-bonding scheme have been omitted. Symmetry codes are as in Table 1

. Note that only the main component present in the structure of (I)

is shown.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

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

doi:10.1107/S0108270110023334

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