| Crystal data |
| Chemical formula |
C10H13N3OS |
|
M
r
|
223.29 |
| Crystal system, space group |
Orthorhombic, I
b
a2 |
| Temperature (K) |
296 |
|
a, b, c (Å) |
14.6474 (14), 17.522 (2), 8.9048 (8) |
|
V (Å3) |
2285.4 (4) |
|
Z
|
8 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.26 |
| Crystal size (mm) |
0.46 × 0.26 × 0.16 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII DUO CCD area-detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2012 ▸) |
|
T
min, T
max
|
0.853, 0.879 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
14825, 3359, 2949 |
|
R
int
|
0.020 |
| (sin θ/λ)max (Å−1) |
0.705 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.033, 0.094, 1.06 |
| No. of reflections |
3359 |
| No. of parameters |
150 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.17, −0.16 |
| Absolute structure |
Flack parameter determined using 1222 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.04 (3) |
