| Crystal data |
| Chemical formula |
C17H13NO2S |
C17H13NO3S |
C24H17ClN2O5S·CHCl3
|
|
M
r
|
295.34 |
311.34 |
600.27 |
| Crystal system, space group |
Monoclinic, P21
|
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
296 |
296 |
296 |
|
a, b, c (Å) |
12.1786 (5), 10.2422 (5), 12.6306 (5) |
9.8708 (6), 12.3914 (7), 13.1457 (12) |
9.5856 (3), 11.2767 (4), 13.1782 (4) |
| α, β, γ (°) |
90, 113.082 (2), 90 |
102.706 (3), 96.552 (3), 111.989 (2) |
104.9070 (11), 108.2350 (9), 91.581 (1) |
|
V (Å3) |
1449.36 (11) |
1419.70 (18) |
1298.31 (7) |
|
Z
|
4 |
4 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.23 |
0.24 |
0.58 |
| Crystal size (mm) |
0.35 × 0.30 × 0.25 |
0.35 × 0.30 × 0.25 |
0.35 × 0.30 × 0.25 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEXII CCD diffractometer |
Bruker Kappa APEXII CCD diffractometer |
Bruker Kappa APEXII CCD diffractometer |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2008 ▸) |
Multi-scan (SADABS; Bruker, 2008 ▸) |
Multi-scan (SADABS; Bruker, 2008 ▸) |
|
T
min, T
max
|
0.924, 0.945 |
0.919, 0.942 |
0.817, 0.866 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
12944, 5750, 5372 |
20747, 5869, 4993 |
25757, 4579, 4054 |
|
R
int
|
0.024 |
0.028 |
0.019 |
| (sin θ/λ)max (Å−1) |
0.639 |
0.628 |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.029, 0.080, 1.02 |
0.038, 0.105, 1.04 |
0.049, 0.136, 1.05 |
| No. of reflections |
5750 |
5869 |
4579 |
| No. of parameters |
389 |
397 |
335 |
| No. of restraints |
1 |
0 |
0 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.16, −0.25 |
0.22, −0.46 |
0.99, −0.77 |
| Absolute structure |
Flack (1983 ▸), 2406 Friedel pairs |
– |
– |
| Absolute structure parameter |
0.01 (4) |
– |
– |
