| Crystal data |
| Chemical formula |
C14H21N2O+·C4H3O4−
|
2(C16H23N2O2+)·C4H2O42−·C4H4O4
|
|
M
r
|
348.39 |
390.43 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, C2/c
|
| Temperature (K) |
300 |
300 |
|
a, b, c (Å) |
10.9690 (9), 15.6452 (12), 10.6839 (7) |
24.410 (2), 8.4508 (7), 21.445 (2) |
| β (°) |
92.084 (2) |
110.963 (3) |
|
V (Å3) |
1832.3 (2) |
4131.1 (7) |
|
Z
|
4 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.09 |
0.09 |
| Crystal size (mm) |
0.42 × 0.3 × 0.12 |
0.18 × 0.15 × 0.12 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Venture CMOS |
Bruker D8 Venture CMOS |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.580, 0.745 |
0.697, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
46191, 3499, 2735 |
47661, 3525, 2420 |
|
R
int
|
0.062 |
0.113 |
| (sin θ/λ)max (Å−1) |
0.612 |
0.588 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.056, 0.164, 1.10 |
0.048, 0.122, 1.04 |
| No. of reflections |
3499 |
3525 |
| No. of parameters |
284 |
268 |
| No. of restraints |
67 |
9 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.34, −0.19 |
0.33, −0.17 |
