| Crystal data |
| Chemical formula |
C19H16N2O2
|
C18H13BrN2O2
|
C20H14N2O2
|
|
M
r
|
304.34 |
369.21 |
314.33 |
| Crystal system, space group |
Monoclinic, P21/c
|
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
123 |
123 |
123 |
|
a, b, c (Å) |
4.5787 (2), 14.7986 (7), 22.3732 (12) |
4.29848 (12), 11.6353 (3), 15.5888 (4) |
7.3075 (6), 8.2605 (4), 13.8196 (9) |
| α, β, γ (°) |
90, 92.130 (5), 90 |
103.788 (2), 95.515 (2), 96.195 (2) |
92.734 (5), 100.608 (6), 108.989 (6) |
|
V (Å3) |
1514.93 (12) |
746.76 (3) |
770.11 (10) |
|
Z
|
4 |
2 |
2 |
| Radiation type |
Cu Kα |
Cu Kα |
Mo Kα |
| μ (mm−1) |
0.71 |
3.85 |
0.09 |
| Crystal size (mm) |
0.33 × 0.12 × 0.07 |
0.65 × 0.10 × 0.06 |
0.19 × 0.08 × 0.05 |
| |
| Data collection |
| Diffractometer |
Agilent TitanS2 GV1000 |
Agilent TitanS2 GV1000 |
Agilent SuperNova Single source at offset, Eos |
| Absorption correction |
Analytical [CrysAlis PRO (Rigaku OD, 2015 ▸), based on expressions derived by Clark & Reid (1995 ▸)] |
Gaussian [CrysAlis PRO (Rigaku OD, 2015 ▸), based on expressions derived by Clark & Reid (1995 ▸)] |
Analytical [CrysAlis PRO (Rigaku OD, 2015 ▸), based on expressions derived by Clark & Reid (1995 ▸)] |
|
T
min, T
max
|
0.869, 0.958 |
0.540, 0.900 |
0.987, 0.996 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6056, 2935, 2562 |
12899, 2966, 2870 |
20693, 5173, 3687 |
|
R
int
|
0.020 |
0.033 |
0.060 |
| (sin θ/λ)max (Å−1) |
0.625 |
0.622 |
0.753 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.038, 0.106, 1.04 |
0.024, 0.065, 1.05 |
0.056, 0.151, 1.04 |
| No. of reflections |
2935 |
2966 |
5173 |
| No. of parameters |
210 |
210 |
218 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.20, −0.21 |
0.48, −0.65 |
0.42, −0.26 |
