Table 2. Experimental details.
Crystal data | |
Chemical formula | C10H10N4O3 |
M r | 234.22 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 100 |
a, b, c (Å) | 10.060 (2), 8.2538 (17), 13.536 (3) |
β (°) | 104.479 (10) |
V (Å3) | 1088.2 (4) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.11 |
Crystal size (mm) | 0.15 × 0.10 × 0.10 |
Data collection | |
Diffractometer | Bruker APEXII CCD |
Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
T min, T max | 0.987, 0.989 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 14003, 2372, 1252 |
R int | 0.044 |
(sin θ/λ)max (Å−1) | 0.642 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.057, 0.137, 1.02 |
No. of reflections | 2372 |
No. of parameters | 167 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.14, −0.17 |