| Crystal data |
| Chemical formula |
C18H20N4O6
|
|
M
r
|
388.38 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
160 |
|
a, b, c (Å) |
6.6576 (1), 17.1463 (2), 15.8105 (2) |
| β (°) |
98.935 (1) |
|
V (Å3) |
1782.92 (4) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.93 |
| Crystal size (mm) |
0.25 × 0.21 × 0.10 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Analytical (CrysAlis PRO; Rigaku OD, 2024 ▸) |
|
Tmin, Tmax
|
0.845, 0.932 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
23056, 3781, 3577 |
|
R
int
|
0.027 |
| (sin θ/λ)max (Å−1) |
0.633 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.038, 0.099, 1.06 |
| No. of reflections |
3781 |
| No. of parameters |
254 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.35, −0.29 |
