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10-(3,5-Dinitro-phen-yl)-5,5-difluoro-1,3,7,9-tetra-methyl-5H-dipyrrolo-[1,2-c:2',1'-f][1,3,2]diaza-borinin-4-ium-5-uide.

ABSTRACT: In an effort to discover new potential boron-dipyrromethene (BODIPY) dyes, the title compound, C19H17BF2N4O4, was prepared from 2,4-dimethyl-pyrrole, 3,5-dinitro-benzaldehyde 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 mol-ecules into inversion dimers, which are linked by further strong C-H?F inter-actions, forming a supra-molecular layered array parallel to the bc plane.

SUBMITTER: Cui AJ 

PROVIDER: S-EPMC3647845 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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10-(3,5-Dinitro-phen-yl)-5,5-difluoro-1,3,7,9-tetra-methyl-5H-dipyrrolo-[1,2-c:2',1'-f][1,3,2]diaza-borinin-4-ium-5-uide.

Cui Ai-Jun AJ   Wang Yan Y   He Jie J   Li Xiang X   He Ming-Yang MY  

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

In an effort to discover new potential boron-dipyrromethene (BODIPY) dyes, the title compound, C19H17BF2N4O4, was prepared from 2,4-dimethyl-pyrrole, 3,5-dinitro-benzaldehyde 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 mol-ecules in  ...[more]