| Compound | (C7H9N2O)H2PO4 |
| Color/shape | Colorless/prismatic |
| Formula weight | 234.15 g/mol |
| Crystal system | monoclinic |
| Space group | P21/n |
| Temperature, K | 293 (2) |
| Unit cell dimensions | |
| a = 11.011 (5) Å | α = 90˚ |
| b = 5.861 (1) Å | β = 100.81 (5)˚ |
| c = 15.944 (5)Å | γ = 90˚ |
| Cell volume, Å3 | 1010.7 (6) |
| Z | 4 |
| Density (calculated), g/cm3 | 1.539 |
| Absorption coefficient, mm−1 | 0.28 |
| diffraction measurement device | Enraf-NoniusCAD4 |
| Radiation, graphite monochr. | MoKα (λ = 0.71073 Å) |
| Max. crystal dimensions, mm | 0.3 × 0.2 × 0.1 |
| θ range | 2.1˚ - 25˚ |
| Range of h, k, l | −12 ≤ h ≤ 12, −2 ≤ k ≤ 6, 0 ≤ l ≤ 18 |
| Number of independent ref. | 1721 |
| Unique reflexions included: (I > 2σI) | 1124 |
| Data reductions programs | Denzo [9] |
| Computer programs | SHELX-97 [10] |
| Refined parameters | 175 |
| Goodness of fit on F2 | 1.00 |
| R | 0.048 |
| Rw | 0.150 |
| Extinction coefficient | 0.001 (3) |
| Δρmin./Δρmax.(e/Å3) | −0.37/0.53 |
| Langest shift error max/min | 0.001/0.000 |