| Crystal data |
| Chemical formula |
C5H7N2
+·C8H5O4
−
|
|
M
r
|
260.25 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
5.1593 (6), 8.6124 (9), 13.5745 (19) |
| β (°) |
97.087 (4) |
|
V (Å3) |
598.56 (13) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.11 |
| Crystal size (mm) |
0.26 × 0.24 × 0.20 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEX CCD area-detector |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6704, 2099, 1972 |
|
R
int
|
0.023 |
| (sin θ/λ)max (Å−1) |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.059, 0.186, 1.24 |
| No. of reflections |
2099 |
| No. of parameters |
180 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.35, −0.24 |
| Absolute structure |
Flack x determined using 880 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.1 (4) |
