| Crystal data |
| Chemical formula |
C14H21N2
+·C4H3O4
−
|
C14H21N2O+·C4H3O4
−·H2O |
|
M
r
|
332.39 |
366.41 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, C2/c
|
| Temperature (K) |
200 |
200 |
|
a, b, c (Å) |
9.852 (2), 12.789 (2), 14.875 (3) |
29.507 (3), 8.7445 (8), 17.3659 (18) |
| β (°) |
106.932 (7) |
123.389 (3) |
|
V (Å3) |
1793.0 (6) |
3741.2 (7) |
|
Z
|
4 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.09 |
0.10 |
| Crystal size (mm) |
0.20 × 0.18 × 0.05 |
0.30 × 0.25 × 0.20 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Venture CMOS |
Bruker D8 Venture CMOS |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.687, 0.745 |
0.719, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
36899, 3297, 2605 |
70395, 3458, 2978 |
|
R
int
|
0.052 |
0.041 |
| (sin θ/λ)max (Å−1) |
0.604 |
0.604 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.049, 0.127, 1.06 |
0.041, 0.096, 1.08 |
| No. of reflections |
3297 |
3458 |
| No. of parameters |
240 |
320 |
| No. of restraints |
8 |
12 |
| 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) |
0.26, −0.26 |
0.22, −0.20 |
