| Crystal data |
| Chemical formula |
C10H12IN5O5
|
|
M
r
|
409.15 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
9.1086 (2), 6.3149 (2), 11.0428 (3) |
| β (°) |
95.585 (1) |
|
V (Å3) |
632.17 (3) |
|
Z
|
2 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
20.25 |
| Crystal size (mm) |
0.35 × 0.06 × 0.02 |
| |
| Data collection |
| Diffractometer |
Bruker KappaCCD APEXII |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.39, 0.69 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15087, 2216, 2144 |
|
R
int
|
0.072 |
| (sin θ/λ)max (Å−1) |
0.597 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.036, 0.097, 1.07 |
| No. of reflections |
2216 |
| No. of parameters |
205 |
| No. of restraints |
12 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
2.79, −1.19 |
| Absolute structure |
Flack x determined using 919 quotients [(I
+) − (I
−)]/[(I
+) + (I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.040 (7) |
