| Crystal data |
| Chemical formula |
C14H8ClNO2
|
|
M
r
|
257.66 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
294 |
|
a, b, c (Å) |
6.8190 (3), 7.7062 (3), 21.7492 (9) |
|
V (Å3) |
1142.89 (8) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.33 |
| Crystal size (mm) |
0.58 × 0.24 × 0.18 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2005 ▸) |
|
T
min, T
max
|
0.834, 0.943 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
21380, 3784, 3513 |
|
R
int
|
0.021 |
| (sin θ/λ)max (Å−1) |
0.741 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.032, 0.090, 1.04 |
| No. of reflections |
3784 |
| No. of parameters |
191 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.21, −0.23 |
| Absolute structure |
Flack (1983 ▸), 1583 Friedel pairs |
| Absolute structure parameter |
0.03 (5) |
