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1-(3′,6′-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9′-xanthen]-5-yl)-3-[4-({4-[1-(4-fluorophenyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)phenyl]thiourea methanol monosolvate

Authors :
Francesco Ansideri
Dieter Schollmeyer
Pierre Koch
Source :
IUCrData, Vol 1, Iss 5, p x160840 (2016)
Publication Year :
2016
Publisher :
International Union of Crystallography, 2016.

Abstract

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 isobenzofuran 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 intramolecular C—F...π contact [F...π = 3.100 (4) Å and C—F...π = 139.9 (3)°] to the six-membered ring of the isobenzofuran system may influence the molecular conformation. The methanol solvent molecule 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.

Details

Language :
English
ISSN :
24143146
Volume :
1
Issue :
5
Database :
Directory of Open Access Journals
Journal :
IUCrData
Publication Type :
Academic Journal
Accession number :
edsdoj.3a1ade211b4e4e82b37bc6836ce0cf8c
Document Type :
article
Full Text :
https://doi.org/10.1107/S2414314616008403