| Crystal data |
| Chemical formula |
C14H12BrNO2
|
|
M
r
|
306.16 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
8.2301 (5), 10.1593 (6), 15.9428 (9) |
| α, β, γ (°) |
102.496 (5), 90.597 (5), 103.213 (5) |
|
V (Å3) |
1264.46 (13) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
3.24 |
| Crystal size (mm) |
0.49 × 0.31 × 0.21 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2 |
| Absorption correction |
Integration (X-RED32; Stoe & Cie, 2002 ▸) |
|
T
min, T
max
|
0.441, 0.663 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
13105, 4958, 3352 |
|
R
int
|
0.044 |
| (sin θ/λ)max (Å−1) |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.038, 0.081, 0.97 |
| No. of reflections |
4958 |
| No. of parameters |
331 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.38, −0.26 |
