Crystal Structure of 7-Amino-4-iodo-3-propyl-1H-isochromen-1-one

Jean Guillon (1) , Luisa Ronga (1) , Mathieu Marchivie (2) , Vincent Lisowki (3)

1 ARNA - Régulations Naturelles et Artificielles
2 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux
3 IBMM - Institut des Biomolécules Max Mousseron [Pôle Chimie Balard]

The X-ray crystal structure of 7-amino-4-iodo-3-propyl-1H-isochromen-1-one, a potential inhibitor in the production of amyloid β-peptide, was established. It crystallizes in the monoclinic space group P21/c with cell parameters a = 8.4258(8)Å, b = 25.4258(18)Å, c = 5.5515(6)Å, α = 90, β = 103.301(4), γ = 90, V = 1157.41(19)Å3 and Z = 4. The crystal structure was refined to final values of R1 = 0.0623 and wR2 = 0.1725. An X-ray crystal structure analysis revealed that each molecule features intermolecular N–H···O hydrogen bonds and halogen halogen interactions.

Domaines: Matériaux

Jean Guillon, Luisa Ronga, Mathieu Marchivie, Vincent Lisowki. Crystal Structure of 7-Amino-4-iodo-3-propyl-1H-isochromen-1-one. X-Ray Structure Analysis Online, 2016, 32, pp.45-46. ⟨10.2116/xraystruct.32.45⟩. ⟨hal-01432492⟩