| Crystal data |
| Chemical formula |
C15H10BrFO |
|
M
r
|
305.14 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
6.0090 (4), 10.8695 (7), 20.5616 (12) |
| α, β, γ (°) |
102.803 (1), 96.938 (1), 97.276 (1) |
|
V (Å3) |
1283.57 (14) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
3.20 |
| Crystal size (mm) |
0.56 × 0.39 × 0.29 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEXII Duo CCD area-detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2009 ▸) |
|
T
min, T
max
|
0.267, 0.455 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
27389, 7437, 4832 |
|
R
int
|
0.037 |
| (sin θ/λ)max (Å−1) |
0.703 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.048, 0.158, 1.04 |
| No. of reflections |
7437 |
| No. of parameters |
325 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.85, −1.35 |
