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Published December 1, 1998 | Published + Supplemental Material
Journal Article Open

Arrays with Local Centers of Symmetry in Space Groups Pca2_1 and Pna2_1


Of the several hundred structures in the Cambridge Structural Database [version 4.6 (1992), Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, England] having space groups Pca2_1 or Pna2_1 and more than one molecule in the asymmetric unit (Z > 4), approximately three-quarters contain local centers of symmetry. These local centers, which are not crystallographic centers, occur predominantly near x = 1/8, y = ¼ in Pca2_1 or near x = 1/8, y = 0 in Pna2_1; this also holds for the limited number of examples we have examined of pseudo-centrosymmetric molecules with Z = 4. Local centers at these points create unusual correlations between corresponding atoms in the two molecules.

Additional Information

© 1998 International Union of Crystallography. Received 26 January 1998; accepted 27 May 1998. We are grateful indeed to F. R. Fronczek for making available to us the intensity data and refinement results for 2-benzyloxy-6-methoxybenzaldehyde.

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