Table 1 Crystallographic data and structure refinement parameters for hydrated DAPH+Cl−.
From: A hydrated 2,3-diaminophenazinium chloride as a promising building block against SARS-CoV-2
Parameters | DAPH+Cl− |
|---|---|
Empirical formula | C12H17N4ClO3 |
Formula weight | 300.75 |
Temperature (K) | 296 |
Crystal system | Monoclinic |
Space group | P\(\overline{1}\) |
a (Å) | 6.8028(11) |
b (Å) | 9.8872(16) |
c (Å) | 11.2737(19) |
Volume (Å3) | 713.2(2) |
Z | 2 |
ρ (gcm+3) | 1.401 |
μ (mm−1) | 0.281 |
F (000) | 316 |
Rint | 0.015 |
θ ranges (°) | 2.0–24.7 |
Number of unique reflections | 2897 |
Total number of reflections | 5348 |
Final R indices | 0.0620, 0.1916 |
Largest peak and hole (eÅ−3) | 0.51 and − 0.48 |
