| Crystal data |
| Chemical formula |
C7H11N2+·C9H6NO4S−·C7H10N2
|
|
M
r
|
469.55 |
| Crystal system, space group |
Monoclinic, Pc
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
8.00032 (10), 15.14469 (18), 18.9141 (2) |
| β (°) |
100.6050 (12) |
|
V (Å3) |
2252.53 (5) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
1.62 |
| Crystal size (mm) |
0.4 × 0.30 × 0.11 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2023 ▸) |
|
Tmin, Tmax
|
0.731, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
16358, 6813, 6608 |
|
R
int
|
0.030 |
| (sin θ/λ)max (Å−1) |
0.632 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.033, 0.085, 1.04 |
| No. of reflections |
6813 |
| No. of parameters |
620 |
| No. of restraints |
4 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.30, −0.39 |
| Absolute structure |
Refined as an inversion twin |
| Absolute structure parameter |
0.478 (18) |
