| Crystal data |
| Chemical formula |
C14H8N4O2
|
|
M
r
|
264.24 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
7.166 (2), 7.686 (3), 12.172 (4) |
| α, β, γ (°) |
95.473 (16), 105.226 (12), 113.116 (13) |
|
V (Å3) |
579.9 (3) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.11 |
| Crystal size (mm) |
0.12 × 0.06 × 0.05 |
| |
| Data collection |
| Diffractometer |
Bruker D8 VENTURE Kappa Duo PHOTON II CPAD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.626, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
45548, 4818, 3946 |
|
R
int
|
0.049 |
| (sin θ/λ)max (Å−1) |
0.811 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.042, 0.122, 1.05 |
| No. of reflections |
4818 |
| No. of parameters |
181 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.46, −0.29 |
