Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



zl2539 scheme

Acta Cryst. (2013). E69, o647    [ doi:10.1107/S1600536813008027 ]

10-(3,5-Dinitrophenyl)-5,5-difluoro-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

A.-J. Cui, Y. Wang, J. He, X. Li and M.-Y. He

Abstract: In an effort to discover new potential boron-dipyrromethene (BODIPY) dyes, the title compound, C19H17BF2N4O4, was prepared from 2,4-dimethylpyrrole, 3,5-dinitrobenzaldehyde and boron trifluoride in a one-pot reaction. The BODIPY fragment is nearly planar, with a maximum deviation from the least-squares plane of 0.251 (2) Å, and the benzene ring is inclined at a dihedral angle of 86.8 (6)° to the BODIPY mean plane. In the crystal, pairs of C-H...F hydrogen bonds connect neighbouring molecules into inversion dimers, which are linked by further strong C-H...F interactions, forming a supramolecular layered array parallel to the bc plane.


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