| Compound | (C13H16N2)1.5HSO4 SO4·H1.5O |
| Color/shape | Colorless/prismatic |
| Formula weight | 511.06 g/mol |
| Crystal system | monoclinic |
| Space group | C2/c(15) |
| Temperature, K | 293(2) |
| Unit cell dimensions |
|
| a = 17.7635(10) Å |
|
| b = 9.3796(10) Å | β = 97.37(2) |
| c = 27.5676(10) Å |
|
| Cell volume, Å3 | 4555.2(6) |
| Z | 8 |
| Density (calculated), g/cm3 | 1.490 |
| Absorption coefficient, mm−1 | 0.291 |
| diffraction measurement device | Enraf-Nonius CAD4 |
| Radiation, graphite monochr | MoKα (λ = 0.71073 Å) |
| Max. crystal dimensions, mm | 0.15 × 0.2 × 0.3 |
| θ range | 2 - 25.00 |
| Range of h, k | −16 ≤ h ≤ 16, −2 ≤ k ≤ 9, 0 ≤ l ≤ 26 |
| Number of independent ref. | 2108 |
| Unique reflexions included: (I > 2σI) | 1807 |
| Computer programs | SHELX-97 [9] |
| Data reductions programs | Denzo [10] |
| Refined parameters | 409 |
| Goodness of fit on F2 | 1.00 |
| R | 0.0472 |
| Rw | 0.1265 |
| Extinction coefficient | 0.0002(3) |
| Δρmin./Δρmax. (e/Å3) | −0.480/0.311 |
| Langest shift error max/min | 0.0002/0.000 |