| Crystal data |
| Chemical formula |
C15H11BrClN3
|
|
M
r
|
348.63 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
7.6218 (5), 8.5238 (5), 11.1093 (7) |
| α, β, γ (°) |
95.739 (3), 98.880 (3), 94.979 (3) |
|
V (Å3) |
705.66 (8) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
3.09 |
| Crystal size (mm) |
0.3 × 0.23 × 0.06 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.591, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
31084, 4288, 3226 |
|
R
int
|
0.033 |
| (sin θ/λ)max (Å−1) |
0.715 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.035, 0.089, 1.03 |
| No. of reflections |
4288 |
| No. of parameters |
181 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.57, −0.47 |
