| Crystal data |
| Chemical formula |
C10H12ClNO2
|
|
M
r
|
213.66 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
123 |
|
a, b, c (Å) |
6.8913 (5), 7.6898 (5), 19.7527 (14) |
|
V (Å3) |
1046.75 (13) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.34 |
| Crystal size (mm) |
0.27 × 0.19 × 0.16 |
| |
| Data collection |
| Diffractometer |
Bruker D8 QUEST diffractometer |
| Absorption correction |
Multi-scan (SADABS2016/2; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.662, 0.747 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
23624, 3796, 3447 |
|
R
int
|
0.042 |
| (sin θ/λ)max (Å−1) |
0.756 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.033, 0.082, 1.07 |
| No. of reflections |
3796 |
| No. of parameters |
140 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.36, −0.30 |
| Absolute structure |
Refined as an inversion twin |
| Absolute structure parameter |
0.04 (6) |
