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38 Ralf Steudel · Bodo Eckert Fig. 14 Molecular conformations of the molecules in the crystals of endo-S18, exo-S18, and S20 Table 15 Crystal and molecular structure parameters of the two allotropes of S18 at room temperature [103, 104] Allotrope endo-S18 (a-S18) P212121D24V4 (no. 19) 1–C1 4 2115.2 1144.1 758.1 2/m–C2h (approximately) 205.9(3) 204.4–206.7 106.3(1) 103.8–108.3 84.4(2) 79.5–89.0 exo-S18 (b-S18) P21/nC2h2 (no. 11) 1 C i 2 1075 725 1225 92.3(5) 1 Ci ( S2) (averaged) 207.8(5) 205.3–210.3 106.3(3) 104.2–109.2 80.0(3) 66.5–87.8 Space group Site symmetry Molecules per unit cell Lattice constants a (pm) b (pm) c (pm) b () - Point group of molecule Av. bond lengths (pm) Range Av. bond angles () Range Av. torsion angles ()a Range a Absolute values using a non-spherical sulfur atom potential yielded a slightly higher lattice energy for exo-S18 than for endo-S18 [73]. 2.2.1.13 Orthorhombic S20 cyclo-Eicosasulfur crystallizes as pale-yellow needles in the orthorhombic crystal system. The unit cell contains four molecules on sites of C2 symmetry. The space group is Pbcn (D2h14Vh14, no. 60) with the lattice constants a=1858.0, b=1318.1, c=860 pm [104]. The structure of the S20 ring cannot be derived from other sulfur modifications. The molecule shows approximatelyPDF Image | Topics in Current Chemistry
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