| Crystal data |
| Chemical formula |
C15H18N2O3S |
C15H18N2O5S |
|
M
r
|
306.37 |
338.37 |
| Crystal system, space group |
Orthorhombic, P
b
c
a
|
Triclinic, P
|
| Temperature (K) |
298 |
100 |
|
a, b, c (Å) |
9.582 (13), 11.444 (15), 26.69 (4) |
7.114 (2), 9.401 (3), 12.038 (3) |
| α, β, γ (°) |
90, 90, 90 |
94.808 (5), 92.110 (5), 107.198 (5) |
|
V (Å3) |
2927 (7) |
764.8 (4) |
|
Z
|
8 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.23 |
0.24 |
| Crystal size (mm) |
0.27 × 0.25 × 0.2 |
0.29 × 0.11 × 0.06 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD area detector |
Bruker SMART CCD area detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2001 ▸) |
Multi-scan (SADABS; Bruker, 2013 ▸) |
|
T
min, T
max
|
0.732, 0.955 |
0.815, 0.989 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
24930, 3685, 2924 |
9076, 3728, 3475 |
|
R
int
|
0.029 |
0.015 |
| (sin θ/λ)max (Å−1) |
0.673 |
0.663 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.053, 0.135, 1.08 |
0.030, 0.082, 1.05 |
| No. of reflections |
3685 |
3728 |
| No. of parameters |
190 |
208 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.35, −0.17 |
0.45, −0.34 |
