Figure 3
Hydrogen-bonding schemes in the tetramer formed by A/B molecules. The top figure shows the arrangement of the four molecules and the 12 hydroxy H-atom sites. The left and right panels represent right- (supR) and left-handed (supS) supramolecular clusters, respectively. The first figure is oriented down the crystallographic threefold axis and the other is oriented down a noncrystallographic threefold axis. Each cluster comprises six hydrogen bonds (dashed gold bonds), involving six H-atom sites (pink H atoms). Topological graphs G(4,6) for supramolecular clusters based on O—H⋯O hydrogen bonds are represented in the centre. Nodes are represented as red balls (O atoms). Arrows forming a ring Rda(n) are stacked over O—H covalent bonds and oriented in the direction d→a, where d is the donor and a the acceptor for a hydrogen bond. Arrows involved in a ring are shown in bold, while those not participating in a ring are greyed out. Polygons delimited by R rings in the 2-space are coloured yellow and blue for supR and supS clusters, respectively, and rings in the projection plane are read clockwise in all cases. For the first-level graphs, Re stands for Rectus and Si for Sinister. Note that all figures on the left are mirror images of the figures on the right, including descriptors of the R rings. |