Crystal Structure of 2,8-Bis(trifluoromethyl)-4-vinylquinoline

Jean Guillon (1) , Alexandra Dassonville-Klimpt (2) , Stéphane Moreau (1) , Pierre Laumaille (3) , Mathieu Marchivie (4) , Pascal Sonnet (2)

1 ARNA - Régulations Naturelles et Artificielles
2 AGIR - Agents infectieux, résistance et chimiothérapie - UR UPJV 4294
3 LG2A - Laboratoire de Glycochimie, des Antimicrobiens et des Agro-ressources - UMR CNRS 7378
4 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux

The X-ray crystal structure of 2,8-bis(trifluoromethyl)-4-vinylquinoline, a key intermediate in the synthesis of potent antimalarial agents, has been established. It crystallizes in the monoclinic space group P21/c with cell parameters a = 16.678(2)Å, b = 17.492(7)Å, c = 8.286(4)Å, β = 97.50(2), V = 2396.5(16)Å3 and Z = 4. The crystal structure was refined to final values of R1 = 0.1043 and wR2 = 0.2207. An X-ray crystal structure analysis revealed that each molecule features intermolecular C–H···F hydrogen bonds and halogen halogen-type I interactions.

Domaines: Cristallographie; Chimie thérapeutique

Jean Guillon, Alexandra Dassonville-Klimpt, Stéphane Moreau, Pierre Laumaille, Mathieu Marchivie, et al.. Crystal Structure of 2,8-Bis(trifluoromethyl)-4-vinylquinoline. X-Ray Structure Analysis Online, 2018, 34, pp.15-16. ⟨10.2116/xraystruct.34.15⟩. ⟨hal-01805168⟩