| Crystal data |
| Chemical formula |
C19H14N2
|
C17H11N3
|
C18H13N3
|
|
M
r
|
270.32 |
257.29 |
271.31 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, P21/c
|
Monoclinic, P21/c
|
| Temperature (K) |
100 |
100 |
100 |
|
a, b, c (Å) |
9.8697 (7), 12.6040 (7), 22.8414 (13) |
3.7436 (3), 34.146 (3), 10.7528 (9) |
9.6951 (6), 12.0142 (7), 12.0376 (9) |
| β (°) |
97.890 (6) |
94.799 (8) |
109.552 (8) |
|
V (Å3) |
2814.5 (3) |
1369.7 (2) |
1321.28 (15) |
|
Z
|
8 |
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.08 |
0.08 |
0.08 |
| Crystal size (mm) |
0.30 × 0.15 × 0.10 |
0.40 × 0.10 × 0.10 |
0.35 × 0.35 × 0.20 |
| |
| Data collection |
| Diffractometer |
Agilent SuperNova (single source at offset, Eos detector) |
Agilent SuperNova (single source at offset, Eos detector) |
Agilent SuperNova (single source at offset, Eos detector) |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.552, 1.000 |
0.695, 1.000 |
0.993, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
12597, 5747, 3728 |
4235, 1926, 1645 |
8569, 2692, 2363 |
|
R
int
|
0.025 |
0.022 |
0.023 |
| θmax (°) |
26.4 |
23.3 |
26.4 |
| (sin θ/λ)max (Å−1) |
0.625 |
0.555 |
0.625 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.054, 0.146, 1.04 |
0.083, 0.208, 1.15 |
0.038, 0.095, 1.06 |
| No. of reflections |
5747 |
1926 |
2692 |
| No. of parameters |
381 |
181 |
190 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.24, −0.22 |
0.44, −0.29 |
0.21, −0.23 |
