1-(3′,6′-Dihy-dr-oxy-3-oxo-3H-spiro-[isobenzo-furan-1,9′-xanthen]-5-yl)-3-[4-({4-[1-(4-fluoro-phen-yl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-phen-yl]thio-urea methanol monosolvate

摘要

The title compound, which crystallized as a methanol monosolvate, C41H27FN6O5S·CH3OH, was synthesized as a probe for a fluorescence polarization-based competition binding assay. The isobenzo-furan fused-ring system is close to planar and orientated almost perpendicular to the central ring of the xanthene system. The dihedral angle between the benzene rings of the xanthene system is 10.0?(2)°, indicating a butterfly-like orientation. A short intra-molecular C—F?π?contact [F?π?= 3.100?(4)?? and C—F?π?= 139.9?(3)°] to the six-membered ring of the isobenzo-furan system may influence the mol-ecular conformation. The methanol solvent mol-ecule is disordered over two orientations in a 0.6:0.4 ratio. In the crystal, the components are linked by numerous hydrogen bonds, generating a three-dimensional network.