| Crystal data |
| Chemical formula |
C14H11NO3
|
|
M
r
|
241.24 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
4.7033 (2), 11.1113 (6), 11.3876 (5) |
| α, β, γ (°) |
81.759 (2), 83.356 (2), 85.564 (2) |
|
V (Å3) |
583.89 (5) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.10 |
| Crystal size (mm) |
0.24 × 0.14 × 0.11 |
| |
| Data collection |
| Diffractometer |
Bruker DUO PHOTON III |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.708, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
45341, 3559, 2489 |
|
R
int
|
0.045 |
| (sin θ/λ)max (Å−1) |
0.714 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.047, 0.148, 1.11 |
| No. of reflections |
3559 |
| No. of parameters |
207 |
| H-atom treatment |
All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) |
0.38, −0.28 |
