| Crystal data |
| Chemical formula |
C11H9N5OS2
|
|
M
r
|
291.35 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
100 |
|
a, b, c () |
11.4650(4), 14.7715(4), 7.5924(3) |
| () |
96.397(3) |
|
V (3) |
1277.81(8) |
|
Z
|
4 |
| Radiation type |
Mo K
|
| (mm1) |
0.42 |
| Crystal size (mm) |
0.40 0.40 0.12 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur, Eos |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2013 ▸) |
|
T
min, T
max
|
0.949, 1.000 |
| No. of measured, independent and observed [I > 2(I)] reflections |
40035, 3838, 3400 |
|
R
int
|
0.035 |
| (sin /)max (1) |
0.719 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.030, 0.078, 1.05 |
| No. of reflections |
3838 |
| No. of parameters |
181 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
0.45, 0.28 |
