| Crystal data |
| Chemical formula |
C15H11Cl2NOS |
C15H11Cl2NO2S |
|
M
r
|
324.21 |
340.21 |
| Crystal system, space group |
Triclinic, P
|
Orthorhombic, P
b
c
a
|
| Temperature (K) |
298 |
298 |
|
a, b, c (Å) |
8.019 (6), 9.562 (8), 9.984 (8) |
7.1094 (17), 20.940 (5), 20.940 |
| α, β, γ (°) |
88.937 (13), 76.254 (12), 71.586 (13) |
90, 90, 90 |
|
V (Å3) |
704.3 (10) |
3117.4 (11) |
|
Z
|
2 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.60 |
0.55 |
| Crystal size (mm) |
0.22 × 0.20 × 0.16 |
0.19 × 0.17 × 0.05 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD area detector |
Bruker SMART CCD area detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2001 ▸) |
Multi-scan (SADABS; Bruker, 2001 ▸) |
|
T
min, T
max
|
0.879, 0.910 |
0.902, 0.973 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6575, 3406, 3070 |
26788, 3862, 2543 |
|
R
int
|
0.016 |
0.038 |
| (sin θ/λ)max (Å−1) |
0.666 |
0.666 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.036, 0.099, 1.05 |
0.051, 0.138, 1.07 |
| No. of reflections |
3406 |
3862 |
| No. of parameters |
181 |
190 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.24, −0.42 |
0.33, −0.31 |
