| Crystal data |
| Chemical formula |
C17H19N3O3S |
|
M
r
|
345.41 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
293 |
|
a, b, c () |
11.2595(7), 11.2697(9), 14.538(1) |
| , , () |
70.562(6), 87.330(7), 82.262(6) |
|
V (3) |
1723.8(2) |
|
Z
|
4 |
| Radiation type |
Mo K
|
| (mm1) |
0.21 |
| Crystal size (mm) |
0.36 0.28 0.24 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur with a Sapphire CCD detector |
| Absorption correction |
Multi-scan (CrysAlis RED; Oxford Diffraction, 2009 ▸) |
|
T
min, T
max
|
0.929, 0.952 |
| No. of measured, independent and observed [I > 2(I)] reflections |
11371, 6281, 4859 |
|
R
int
|
0.020 |
| (sin /)max (1) |
0.602 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.047, 0.115, 1.07 |
| No. of reflections |
6281 |
| No. of parameters |
449 |
| No. of restraints |
4 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
0.21, 0.37 |
