Compound | 6 | 10 | 13 | 15 | 23 |
Crystal Dimension/mm | 0.07 × 0.13 × 0.25 | 09 × 0.13 × 0.19 | 0.10 × 0.20 × 0.34 | 0.20 × 0.20 × 0.20 | 0.10 × 0.25 × 0.25 |
Crystal Color and Shape | Light colorless, block-like | Lightcolorless, block-like | Lightcolorless, block-like | Colorless, Prism | Colorless, block like |
Formula weight | C14H15N3O2S2 | C13H13N3O2S2 | C19H15N3O4S2 | C15H17N3O3S2 | C15H15N3O5S2 |
Crystal system | Triclinic | Monoclinic | Triclinic | Triclinic | Triclinic |
Space group | P-1 | P 121/c 1 | P-1 | P-1 | P-1 |
T/K | 296 | 296 | 296 | 296 | 296 |
a/Å | 7.8168 (5) | 12.5590 (7) | 7.5866 (6) | 7.646 (2) | 7.7601 (5) |
b//Å | 8.6997 (6) | 29.3421 (17) | 11.5021 (9) | 10.020 (2) | 10.5935 (6) |
c/Å | 11.6038 (7) | 7.9023 (5) | 11.7568 (9) | 11.640 (2) | 12.6829 (9) |
a/deg | 88.409 (3) | 90 | 99.111 (2) | 72.136 (5) | 65.372 (5) |
b/deg | 73.837 (3) | 93.870 (3) | 106.564 (3) | 77.211 (6) | 72.296 (5) |
g/deg | 82.013 (3) | 90 | 102.689 (3) | 78.761 (6) | 78.930 (6) |
V/Å3 | 750.51 (8) | 2905.4 (3) | 932.16 (13) | 820.0 (2) | 900.3 (1) |
Z | 2 | 8 | 2 | 2 | 2 |
m/mm−1 | 3.287 | 3.371 | 2.874 | 3.421 | 3.240 |
rcalcd/g・cm−3 | 1.422 | 1.405 | 1.473 | 1.423 | 1.403 |
Thetamax/deg | 61.15 | 66.66 | 66.28 | 25.00 | 26.35 |
Reflections collected | 3851 | 14154 | 11244 | 6464 | 8085 |
Unique reflections | 2218 | 4962 | 3177 | 2870 | 3645 |
Rint | 0.0170 | 0.0276 | 0.0353 | 0.0481 | 0.0244 |
R (I > 2s) | 0.0346 | 0.0425 | 0.0357 | 0.0664 | 0.0679 |
R (all data) | 0.0355 | 0.0501 | 0.0361 | 0.1071 | 0.0972 |
Rw (all data) | 0.1005 | 0.1392 | 0.0937 | 0.2302 | 0.2426 |
Peak max/e Å−3 | 0.234 | 0.391 | 0.250 | 0.45 | 0.93 |