| Crystal data |
| Chemical formula |
C13H17N3O3
|
|
M
r
|
263.29 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
16.2304 (9), 6.5804 (3), 13.2222 (7) |
| β (°) |
107.156 (6) |
|
V (Å3) |
1349.33 (13) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.09 |
| Crystal size (mm) |
0.53 × 0.16 × 0.16 |
| |
| Data collection |
| Diffractometer |
SuperNova, Dual, Cu at home/near, Atlas |
| Absorption correction |
Gaussian (CrysAlisPr; Rigaku OD, 2023 ▸) |
|
Tmin, Tmax
|
0.564, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11819, 3351, 2275 |
|
R
int
|
0.030 |
| (sin θ/λ)max (Å−1) |
0.696 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.059, 0.180, 1.06 |
| No. of reflections |
3351 |
| No. of parameters |
175 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.14, −0.21 |
