| Crystal data |
| Chemical formula |
C24H21NO3S |
C24H21NO4
|
|
M
r
|
403.48 |
387.42 |
| Crystal system, space group |
Monoclinic, P21/n
|
Triclinic, P
|
| Temperature (K) |
100 |
100 |
|
a, b, c (Å) |
14.572 (3), 8.7989 (18), 16.982 (3) |
8.1851 (16), 11.025 (2), 11.795 (2) |
| α, β, γ (°) |
90, 111.92 (3), 90 |
99.14 (3), 92.51 (3), 107.99 (3) |
|
V (Å3) |
2020.0 (8) |
994.6 (4) |
|
Z
|
4 |
2 |
| Radiation type |
Synchrotron, λ = 0.96260 Å |
Synchrotron, λ = 0.81182 Å |
| μ (mm−1) |
0.41 |
0.12 |
| Crystal size (mm) |
0.15 × 0.10 × 0.10 |
0.20 × 0.12 × 0.08 |
| |
| Data collection |
| Diffractometer |
Rayonix SX165 CCD |
Rayonix SX165 CCD |
| Absorption correction |
Multi-scan (SCALA; Evans, 2006 ▸) |
Multi-scan (SCALA; Evans, 2006 ▸) |
|
T
min, T
max
|
0.930, 0.950 |
0.963, 0.987 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
12006, 4140, 2888 |
18107, 4204, 3839 |
|
R
int
|
0.101 |
0.092 |
| (sin θ/λ)max (Å−1) |
0.645 |
0.634 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.082, 0.244, 1.04 |
0.048, 0.129, 1.06 |
| No. of reflections |
4140 |
4204 |
| No. of parameters |
267 |
276 |
| No. of restraints |
0 |
4 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.57, −0.83 |
0.31, −0.25 |
