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5,5'-Bis(hydroxymethyl)-3,3'-dimethoxybiphenyl-2,2'-diol with a new three-dimensional 3-modal topology of synthons

Vratislav Langer (Institutionen för kemi- och bioteknik, Oorganisk miljökemi) ; Knut Lundquist (Institutionen för kemi- och bioteknik, Skogsindustriell kemiteknik)
Acta Crystallographica Section C: Crystal Structure Communications (0108-2701). Vol. 66 (2010), 12, p. o606-o608.
[Artikel, refereegranskad vetenskaplig]

The title lignin model compound, C16H18O6, resides on a twofold axis parallel with the b axis, with the mid-point of the internal C-C(-x + 1, y, -z + 1/2) bond located on the twofold axis. The exo angles between the methoxy groups and the benzene rings deviate significantly from the expected value of 120° [125.15 (7) and 114.27 (6)°]. A 12-coordinated 3-modal three-dimensional net with a new topology was identified on the synthon level. A comparison of the flexibility of related o,o'-disubstituted biphenyl derivatives and biphenyl is presented, with the angles between the ring planes in substituted biphenyls found to be in the range 40-70°.

Nyckelord: X-ray structure analysis, lignin model compound, topology, conformation

Denna post skapades 2010-11-19. Senast ändrad 2013-10-25.
CPL Pubid: 129264


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Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Oorganisk miljökemi (2005-2014)
Institutionen för kemi- och bioteknik, Skogsindustriell kemiteknik (2005-2014)


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