| Crystal data |
| Chemical formula |
C19H16ClNO5
|
C19H15Cl2NO5
|
|
M
r
|
373.78 |
408.22 |
| Crystal system, space group |
Monoclinic, P21/n
|
Monoclinic, P21/n
|
| Temperature (K) |
293 |
293 |
|
a, b, c (Å) |
9.0152 (3), 13.6579 (4), 14.6366 (4) |
9.2372 (3), 14.5027 (5), 14.4830 (5) |
| β (°) |
102.176 (1) |
94.521 (2) |
|
V (Å3) |
1761.64 (9) |
1934.17 (11) |
|
Z
|
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.25 |
0.37 |
| Crystal size (mm) |
0.27 × 0.24 × 0.18 |
0.28 × 0.22 × 0.19 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEXII CCD |
Bruker Kappa APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2008 ▸) |
Multi-scan (SADABS; Bruker, 2008 ▸) |
|
T
min, T
max
|
0.935, 0.935 |
0.942, 0.961 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15968, 4365, 3186 |
12108, 3481, 2382 |
|
R
int
|
0.019 |
0.029 |
| (sin θ/λ)max (Å−1) |
0.667 |
0.600 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.040, 0.109, 1.04 |
0.055, 0.143, 1.04 |
| No. of reflections |
4365 |
3481 |
| No. of parameters |
236 |
245 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.23, −0.23 |
0.57, −0.31 |
