| Crystal data |
| Chemical formula |
C2H9N2
+·Br−
|
C2H9N2
+·H2PO3
−
|
|
M
r
|
141.02 |
142.10 |
| Crystal system, space group |
Monoclinic, I2/a
|
Orthorhombic, P
n
a21
|
| Temperature (K) |
100 |
100 |
|
a, b, c (Å) |
13.2423 (2), 5.1239 (1), 16.1839 (3) |
8.0690 (2), 6.9970 (2), 11.7001 (6) |
| α, β, γ (°) |
90, 94.838 (2), 90 |
90, 90, 90 |
|
V (Å3) |
1094.20 (3) |
660.57 (4) |
|
Z
|
8 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
7.36 |
0.35 |
| Crystal size (mm) |
0.23 × 0.09 × 0.09 |
0.18 × 0.18 × 0.02 |
| |
| Data collection |
| Diffractometer |
Rigaku Mercury CCD |
Rigaku Mercury CCD |
| Absorption correction |
Multi-scan (CrystalClear; Rigaku, 2012 ▸) |
– |
|
T
min, T
max
|
0.282, 0.557 |
– |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6485, 1258, 1224 |
5347, 1395, 1365 |
|
R
int
|
0.029 |
0.023 |
| (sin θ/λ)max (Å−1) |
0.649 |
0.649 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.020, 0.051, 1.12 |
0.025, 0.065, 1.09 |
| No. of reflections |
1258 |
1395 |
| No. of parameters |
58 |
77 |
| No. of restraints |
0 |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.50, −0.48 |
0.24, −0.28 |
| Absolute structure |
– |
Refined as an inversion twin. |
| Absolute structure parameter |
– |
0.15 (14) |
