Research Article
Synthesis and Antifungal Activity of β-Hydroxysulfides of 1,3-Dioxepane Series
Table 1
Parameters of crystals of compounds 6, 7, and 9 and conditions of X-ray diffraction experiments.
| | Compound reference | 6 | 7 | 9 |
| | Temperature (K) | 293 (2) | 293 (2) | 293 (2) | | Chemical formula | C13H16O6S | C11H12O4S | C11H14O3S | | Formula mass | 300.32 | 240.27 | 226.28 | | Crystal system | Triclinic | Monoclinic | Monoclinic | | A (Å) | 8.2534 (12) | 12.770 (5) | 17.337 (6) | | b (Å) | 9.2870 (14) | 7.578 (3) | 4.8550 (16) | | c (Å) | 10.2792 (15) | 11.525 (5) | 13.336 (4) | | α (°) | 110.116 (2) | 90 | 90 | | β (°) | 97.389 (2) | 100.639 (5) | 96.440 (3) | | γ (°) | 105.359 (2) | 90 | 90 | | Unit cell volume (Å3) | 692.09 (18) | 1096.1 (8) | 1115.4 (6) | | Space group | P-1 | P21/c | P21/c | | No. of formula units per unit cell (Z) | 2 | 4 | 4 | | No. of reflections measured | 3436 | 6931 | 8394 | | No. of independent reflections | 1883 | 1764 | 2414 | | Rint | 0.109 | 0.030 | 0.031 | | Final R1 values (I > 2σ(I)) | 0.0664 | 0.0351 | 0.0546 | | Final wR (F2) values (I > 2σ(I)) | 0.1807 | 0.0902 | 0.1462 | | Final R1 values (all data) | 0.0704 | 0.0426 | 0.0670 | | Final wR (F2) values (all data) | 0.1858 | 0.0949 | 0.1568 | | CCDC numbers | 1513085 | 1513086 | 1513087 |
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