| Crystal data |
| Chemical formula |
C13H16N2O4
|
|
M
r
|
264.28 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
123 |
|
a, b, c (Å) |
11.4519 (3), 9.2370 (3), 11.8727 (4) |
| β (°) |
90.475 (3) |
|
V (Å3) |
1255.87 (7) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.87 |
| Crystal size (mm) |
0.42 × 0.34 × 0.18 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction Xcalibur, Ruby, Gemini |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2012 ▸) |
|
T
min, T
max
|
0.822, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
9733, 2626, 2572 |
|
R
int
|
0.024 |
| (sin θ/λ)max (Å−1) |
0.633 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.066, 0.208, 1.19 |
| No. of reflections |
2626 |
| No. of parameters |
177 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.33, −0.35 |
