| Formula | C6H8N5O2ClS | Formula weight | 249.68 | Wavelength () | 0.71073 | Temperature (K) | 100(2) | Solvent system | Methanol | CCDC number | 943833 | Crystal system | Triclinic | Space group | -1 | , , () | 7.2424(3), 7.9943(3), 9.2677(4) | , , (°) | 86.667(2), 79.259(2), 73.175(2) | () | 504.61(4) | | 2 | Density (g cm−3) | 1.643 | (mm−1) | 0.574 | (000) | 256 | (min, max) | 2.83, 22.63 | Treatment of hydrogens | Fixed |
min,max, min,max, min,max | (−9, 9), (−10, 9), (−9, 12) | Number. of ref. | 8323 | Number of unique ref./ obs. ref. | 2299, 2132 | Number of parameters | 137 | _all, _obs | 0.0306, 0.0283 | _all, _obs | 0.0755, 0.0740 | Δmin,max () | −0.327, 0.232 | G. o. F | 1.086 |
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