Abstract
The title compound, C19H9N5O8, has a warped fluorene ring system due to steric repulsion between the 4-ethoxycarbonyl and 5-nitro groups.
Highlights
The solid was filtered off, washed with 2-propanol and dried to yield crude compound (I) (5.2 g, 93%; m.p. 539–543 K). It was dissolved in boiling dioxane (75 ml), hot 2-propanol was added to the solution and the product left to crystallize
The methyl group was refined as a rigid body (C—H = 0.98 A ) rotating around the C—C bond, with a common Uiso value for all three H atoms
Other H atoms were treated as riding in idealized positions, with Csp3—H = 0.99 Aand Csp2—H = 0.95 A, and Uiso(H) = 1.3Ueq(C) and 1.2Ueq(C), respectively
Summary
The molecular structure of (I) is strongly influenced by steric repulsion between the nitro and ethoxycarbonyl groups in positions 4 and 5, respectively This overcrowding, indicated, for example, by the short (intramolecular) non-bonding distances N4Á Á ÁO5 [2.730 (5) A ] and C17Á Á ÁO4 [2.711 (6) A ], causes the above-mentioned substituents to tilt out of the fluorene plane in opposite directions. The solid was filtered off, washed with ethanol and dried This procedure was repeated to give pure compound (III) (7.2 g, 67%) as yellow crystals (m.p. 434–435 K). The solid was filtered off, washed with 2-propanol and dried to yield crude compound (I) (5.2 g, 93%; m.p. 539–543 K) It was dissolved in boiling dioxane (75 ml), hot 2-propanol was added to the solution and the product left to crystallize.
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