Topological Crystal Chemistry: Theory and Practice

β-quinol HYQUIN05

On the left the network observed in β-quinol HYQUIN05 showing the hexameric synthon V (Scheme I) that maps onto 412.63- pcu. On the right the three possible descriptions of a single net of the 2-fold β-quinol: 'standard' 64.82- nbo (green) with the whole molecule as 4-c node, ring-synthon net 412.63-pcu (red) with the centres of the hexagonal synthon as 6-c nodes and 6.102- pcu-h (blue) when the oxygens of the -OH groups are considered as 3-c nodes.
Source: Interpenetrated Three-Dimensional Networks of Hydrogen-Bonded Organic Species: A Systematic Analysis of the Cambridge Structural Database Baburin, I. A.; Blatov, V. A.; Carlucci, L.; Ciani, G.; Proserpio, D. M. Cryst. Growth Des.; 2008; 8(2); 519-539.

The modern nomenclature for nets adopts the 3-letter code (as "dia","ths", "pcu","pts" in bold font) proposed by Mike O'Keeffe as code-name for nets (similar to zeolites names), in order to identify uniquely topologies and avoid/minimize errors. See, The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets, O'Keeffe, M.; Peskov, M/ A.; Ramsden, S. J.; Yaghi, O. M. Accts. Chem. Res. 2008, 41, 1782-1789. and Vertex-, face-, point-, Schlafli-, and Delaney-symbols in nets, polyhedra and tilings: recommended terminology, V. A. Blatov, M. O'Keeffe and D. M. Proserpio CrystEngComm, 2009, DOI: 10.1039/B910671E

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