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
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Berthold Stöger
,
Erich Zobetz
Abstract
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.
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- Front matter
- Crystallographic Computing System JANA2006: General features
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- 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
- Crystal structure determination of organic thin-films: the example of 2,2′ :6′,2″-ternaphthalene
- 1:1 Co-crystals of sulfadimidine with three bipyridine-type molecules: Persistence of N–H…N hydrogen bonded supramolecular chains
- EosFit7c and a Fortran module (library) for equation of state calculations
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Articles in the same Issue
- Front matter
- Crystallographic Computing System JANA2006: General features
- The incommensurate crystal structure of the Pd5B1-z phase; B ordering driven by elastic interaction between B atoms
- Symmetry reduction in uranyl compounds with [(UO2)2(TO4)3]2- (T = Se, S, Mo) layers: crystal structures of the new guanidinium uranyl selenate and methylammonium uranyl sulfate
- 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
- Crystal structure determination of organic thin-films: the example of 2,2′ :6′,2″-ternaphthalene
- 1:1 Co-crystals of sulfadimidine with three bipyridine-type molecules: Persistence of N–H…N hydrogen bonded supramolecular chains
- EosFit7c and a Fortran module (library) for equation of state calculations
- Symmetry and the polar state of condensed molecular matter
