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Figure 3
Geometrical parameters used for the definition and classification of packing types of pyrenes and analogues: (a) `centre-to-centre' offset ν (Å), (b) interplanar distance d (Å), the shortest axis p (Å) and the angle φ (°); (c) interplanar angle θ (°) between adjacent stacks, interactive volume V = 2S2d (Å3) which defines a space between the reference molecule and its two closest neighbours in the stack; overlapping surfaces of the reference molecule viewed perpendicular to the least-squares planes of the aromatic rings with (d) a single neighbour, S1 (Å2), (e) two neighbours, S2 (Å2) and (f) three neighbours, S3 (Å2); (g) the overlapping surfaces were calculated as the areas of intersecting polygons with their definition using set theory; the reference molecule is represented as the set B and intersections S1, S2, and S3 of the three sets are equivalent to S1, S2, and S3.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 55| Part 1| February 1999| Pages 55-69
doi:10.1107/S0108768198006557
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