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{2-[(3,5-Dimethyl-2H-pyrrol-2-yl-idene-?N)(4-nitro-phen-yl)meth-yl]-3,5-dimethyl-1H-pyrrol-1-ido-?N}difluoridoboron.

ABSTRACT: In an effort to discover novel and potential boron-dipyrromethene (BODIPY) dyes, the title compound, C(19)H(18)BF(2)N(3)O(2), was prepared from 2,4-dimethyl-pyrrole, 4-nitro-benzaldehyde and BF(3)·Et(2)O in a one-pot reaction. There are two independent mol-ecules, A and B, in the asymmetric unit in which the dihedral angles between the benzene ring and boron-dipyrromethene mean plane have significantly different values [82.71?(8)° for mol-ecule A and 73.16?(8)° for mol-ecule B]. Inter-molecular C-H?? inter-actions help to stabilize the crystal structure.

SUBMITTER: Cui AJ 

PROVIDER: S-EPMC3254419 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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{2-[(3,5-Dimethyl-2H-pyrrol-2-yl-idene-κN)(4-nitro-phen-yl)meth-yl]-3,5-dimethyl-1H-pyrrol-1-ido-κN}difluoridoboron.

Cui Ai-Jun AJ   An Jie J   Sun Fu-An FA   Hu Meng M   Qin Jing J  

Acta crystallographica. Section E, Structure reports online 20111210 Pt 1

In an effort to discover novel and potential boron-dipyrromethene (BODIPY) dyes, the title compound, C(19)H(18)BF(2)N(3)O(2), was prepared from 2,4-dimethyl-pyrrole, 4-nitro-benzaldehyde and BF(3)·Et(2)O in a one-pot reaction. There are two independent mol-ecules, A and B, in the asymmetric unit in which the dihedral angles between the benzene ring and boron-dipyrromethene mean plane have significantly different values [82.71 (8)° for mol-ecule A and 73.16 (8)° for mol-ecule B]. Inter-molecular  ...[more]

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