| Crystal data |
| Chemical formula |
C13H14Cl2N2O3
|
|
M
r
|
317.16 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
8.9115 (5), 8.9341 (7), 18.5838 (15) |
|
V (Å3) |
1479.57 (19) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
4.03 |
| Crystal size (mm) |
0.50 × 0.10 × 0.04 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Gaussian (CrysAlis PRO; Rigaku OD, 2024 ▸) |
|
Tmin, Tmax
|
0.225, 0.945 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17780, 3244, 3199 |
|
R
int
|
0.033 |
| (sin θ/λ)max (Å−1) |
0.640 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.025, 0.063, 1.12 |
| No. of reflections |
3244 |
| No. of parameters |
192 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.29, −0.35 |
| Absolute structure |
Refined as an inversion twin |
| Absolute structure parameter |
0.273 (14) |
