| Crystal data |
| Chemical formula |
C12H19N2O2Se+·Br−
|
|
M
r
|
382.16 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
120 |
|
a, b, c (Å) |
8.4924 (7), 9.3927 (7), 9.7799 (8) |
| α, β, γ (°) |
71.379 (6), 86.439 (7), 74.119 (6) |
|
V (Å3) |
710.78 (10) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
5.45 |
| Crystal size (mm) |
0.37 × 0.35 × 0.18 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2T |
| Absorption correction |
Integration [X-RED32 (Stoe, & Cie, 2020 ▸), absorption correction by Gaussian integration, analogous to Coppens (1970 ▸)] |
|
Tmin, Tmax
|
0.163, 0.405 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6548, 3370, 3085 |
|
R
int
|
0.030 |
| (sin θ/λ)max (Å−1) |
0.659 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.035, 0.096, 1.10 |
| No. of reflections |
3370 |
| No. of parameters |
164 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
1.39, −0.84 |
