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Licensed Unlicensed Requires Authentication Published by De Gruyter (O) April 25, 2014

The pseudo-inversion symmetry of 9,90′ (1,3,4-oxadiazole-2,5-diyldi(1,1′-biphenyl)-2′,4- diyl)bis[9H-carbazole] in the light of OD theory

  • Berthold Stöger EMAIL logo , Erich Zobetz , Paul Kautny , Daniel Lumpi and Johannes Fröhlich


The crystal structure of 9,9′-(1,3,4-oxadiazole- 2,5-diyldi(1,1′-biphenyl)-2′,4-diyl)bis[9H-carbazole] [Pna21, Z = 4, a = 17.9874 (4) Å, b = 9.2989 (8) Å, c = 21.5822 (9) Å, Robs = 0.0395, 9239 F data, 496 parameters] features a pseudo-centre of inversion strictly valid only for isolated layers of the structure. It is an order-disorder (OD) structure made up of one kind of non-polar layers composed of (I) molecules connected to polar layer pairs. The major polytype is of a maximum degree of order. The magnitude of the intrinsic translation vectors of the glides and screws relating adjacent layers is a convenient quantification of the deviation from perfect centrosymmetry.

Online erschienen: 2014-4-25
Erschienen im Druck: 2014-5-1

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