| Crystal data |
| Chemical formula |
C10H12N4O |
|
M
r
|
204.24 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
4.8530 (3), 7.3504 (5), 29.862 (3) |
| α, β, γ (°) |
93.584 (6), 90.385 (5), 99.905 (5) |
|
V (Å3) |
1047.14 (13) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.73 |
| Crystal size (mm) |
0.81 × 0.13 × 0.04 |
| |
| Data collection |
| Diffractometer |
SuperNova, Dual, Cu at home/near, Atlas |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2023 ▸) |
|
Tmin, Tmax
|
0.245, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
4441, 4441, 2956 |
|
R
int
|
0.077 |
| (sin θ/λ)max (Å−1) |
0.619 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.076, 0.244, 1.08 |
| No. of reflections |
4441 |
| No. of parameters |
284 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.26, −0.28 |
