Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 1 (January 2014)

organic compounds

vm2201 scheme

Acta Cryst. (2014). E70, o74    [ doi:10.1107/S1600536813033448 ]

4,4-Di­fluoro-2,3;5,6-bis­(tetra­methylene)-4-bora-3a,4a-di­aza-s-indacene (LD540)

K. Salorinne, T.-R. Tero and T. Lahtinen

Abstract: The title compound, C18H21BF2N2, is a lipophilic dye based on a BODIPY fluoro­phore backbone, which was developed for microscopic imaging of lipid droplets; the mol­ecule has a planar BODIPY core [dihedral angle between the pyrrole rings = 2.3 (3)°] and two tetra­methyl­ene substituents at the 2,3- and 5,6-positions in a half-chair conformation. One of the tetra­methyl­ene substituents is disordered over two two sets of sites with site occupancies of 0.5. In the crystal, pairs of C-H...F inter­actions link the mol­ecules into inversion dimers. Neighbouring dimers are linked by further C-H...F inter­actions, forming an infinite array. C-H...[pi] and [pi]-[pi] [centroid-centroid distance = 4.360 (3) Å] inter­actions are observed between the BODIPY core and the tetra­methyl­ene substituents of neighbouring dimer pairs.

CCDC reference: 976242

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