| Crystal data |
| Chemical formula |
C9H12NO4
+·Cl−·C9H11NO4
|
|
M
r
|
430.83 |
| Crystal system, space group |
Monoclinic, I2 |
| Temperature (K) |
293 |
|
a, b, c (Å) |
6.1768 (3), 5.4349 (3), 28.7651 (16) |
| β (°) |
98.140 (4) |
|
V (Å3) |
955.92 (9) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.25 |
| Crystal size (mm) |
0.30 × 0.25 × 0.20 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2004 ▸) |
|
T
min, T
max
|
0.927, 0.959 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
14303, 2982, 2623 |
|
R
int
|
0.024 |
| (sin θ/λ)max (Å−1) |
0.777 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.035, 0.094, 1.05 |
| No. of reflections |
2982 |
| No. of parameters |
151 |
| No. of restraints |
2 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.57, −0.21 |
| Absolute structure |
Flack x determined using 1021 quotients [(I
+) − (I
−)]/[(I
+) + (I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.033 (17) |
