| Crystal data |
| Chemical formula |
C13H10N2O |
C13H10N2O |
|
M
r
|
210.23 |
210.23 |
| Crystal system, space group |
Monoclinic, C2/c
|
Orthorhombic, P
b
c
a
|
| Temperature (K) |
193 |
193 |
|
a, b, c (Å) |
18.0187 (9), 6.4455 (3), 18.7315 (10) |
13.7925 (3), 7.2652 (1), 19.7956 (4) |
| α, β, γ (°) |
90, 111.181 (3), 90 |
90, 90, 90 |
|
V (Å3) |
2028.50 (18) |
1983.62 (6) |
|
Z
|
8 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.09 |
0.09 |
| Crystal size (mm) |
0.51 × 0.23 × 0.14 |
0.37 × 0.33 × 0.19 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.699, 0.746 |
0.712, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
9328, 2350, 1956 |
34068, 2479, 2203 |
|
R
int
|
0.031 |
0.036 |
| (sin θ/λ)max (Å−1) |
0.651 |
0.668 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.041, 0.104, 1.07 |
0.039, 0.099, 1.02 |
| No. of reflections |
2350 |
2479 |
| No. of parameters |
145 |
145 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.18, −0.23 |
0.25, −0.38 |