| Crystal data |
| Chemical formula |
C13H13ClN2O3
|
|
M
r
|
280.70 |
| Crystal system, space group |
Orthorhombic, P
c
a21
|
| Temperature (K) |
150 |
|
a, b, c (Å) |
22.8042 (11), 4.7826 (2), 11.7421 (6) |
|
V (Å3) |
1280.63 (10) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
2.71 |
| Crystal size (mm) |
0.21 × 0.14 × 0.13 |
| |
| Data collection |
| Diffractometer |
Bruker D8 VENTURE PHOTON 3 CPAD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.60, 0.72 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
22953, 2495, 2468 |
|
R
int
|
0.050 |
| (sin θ/λ)max (Å−1) |
0.619 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.058, 0.160, 1.09 |
| No. of reflections |
2495 |
| No. of parameters |
175 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
1.27, −0.32 |
| Absolute structure |
Refined as an inversion twin |
| Absolute structure parameter |
0.17 (4) |
