Crystal Structure of (E)-1-(3,4-Methylenedioxy-6-fluorophenyl)-2-nitropropene

Jean Guillon (1) , Luisa Ronga (1) , Mathieu Marchivie (2) , Stéphane Moreau (1)

1 ARNA - Régulations Naturelles et Artificielles
2 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux

The X-ray crystal structure of (E)-1-(3,4-methylenedioxy-6-fluorophenyl)-2-nitropropene, a potential antibacterial agent, was established. It crystallizes in the triclinic space group P-1 with cell parameters a = 6.716(1)Å, b = 8.323(2)Å, c = 9.453(2)Å, α = 82.75(2), β = 86.17(1), γ = 68.75(1), V = 488.4(1)Å3 and Z = 2. The crystal structure was refined to final values of R1 = 0.0439 and wR2 = 0.1340. The molecules pack to form a 2D network with head-to-tail short hydrogen bonding like contacts between the methylenedioxy and nitro groups, and between fluor and hydrogen of the aromatic rings of neighbouring molecules.

Domaines: Matériaux

Jean Guillon, Luisa Ronga, Mathieu Marchivie, Stéphane Moreau. Crystal Structure of (E)-1-(3,4-Methylenedioxy-6-fluorophenyl)-2-nitropropene. X-Ray Structure Analysis Online, 2016, 32, pp.23-24. ⟨10.2116/xraystruct.32.23⟩. ⟨hal-01432378⟩