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Figure 7
R22(4) supramolecular motifs used for the CSD search: Ch1/Ch2 = S/Se/Te, X = F/Cl/Br/I, Ch3 = O/S/Se (no fragments were found with Ch3 = Te). Geometrical criteria used in the search for motifs: distances d = Ch1⋯Ch2/Ch2⋯X/Ch2⋯Ch3 ≤ sum (vdW) + 0.4 Å, structural angles ∠C—Ch1⋯Ch2/∠C—Ch2⋯Ch1/∠C—Ch2⋯X/∠C—X⋯Ch2/∠C—Ch2⋯Ch3/∠C=Ch3⋯Ch2 within the range 60–180°. For C1A/1B—Ch1⋯Ch2—C2A/2B interactions: ζ1A/1B = ∠C1A/1B—Ch1⋯Ch2 and ζ2A/2B = ∠C2A/2B—Ch2⋯Ch1. For C2A/2B—Ch2⋯X/Ch3—C1B interactions: ζ1A/1B = ∠C2A/2B—Ch2⋯X and ζ2 = ∠C1B—X/Ch3⋯Ch2. Note that, in addition to Ch1⋯Ch2 interactions, the nomenclature ζ1A/1B and ζ2A/2B also requires Ch2⋯X interactions to be consistent with that of Table 1[link]. X-atom vdW radii = 1.47, 1.75, 1.85 and 1.98 Å for F, Cl, Br and I, respectively. Ch-atom vdW radii = 1.52, 1.80 and 1.90 Å for O, S and Se, respectively.

IUCrJ
Volume 12| Part 3| May 2025|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525001447