| Crystal data |
| Chemical formula |
C26H21N5O2
|
C25H17Cl2N5O2
|
C29H21N5O2
|
|
M
r
|
435.48 |
490.33 |
471.51 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, C2/c
|
Monoclinic, P21/n
|
| Temperature (K) |
297 |
297 |
297 |
|
a, b, c (Å) |
9.8432 (6), 11.7441 (7), 12.3005 (7) |
28.1916 (17), 8.0537 (5), 22.0446 (12) |
9.8460 (8), 22.4303 (18), 11.0490 (9) |
| α, β, γ (°) |
114.120 (2), 111.139 (2), 96.537 (2) |
90, 109.070 (1), 90 |
90, 104.157 (2), 90 |
|
V (Å3) |
1152.06 (12) |
4730.5 (5) |
2366.0 (3) |
|
Z
|
2 |
8 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.08 |
0.31 |
0.09 |
| Crystal size (mm) |
0.20 × 0.20 × 0.18 |
0.18 × 0.15 × 0.15 |
0.22 × 0.21 × 0.16 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII |
Bruker APEXII |
Bruker APEXII |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
Multi-scan (SADABS; Bruker, 2016 ▸) |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.868, 0.985 |
0.881, 0.955 |
0.930, 0.986 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17379, 4050, 2957 |
31508, 4174, 3181 |
43217, 4196, 2463 |
|
R
int
|
0.048 |
0.049 |
0.092 |
| (sin θ/λ)max (Å−1) |
0.596 |
0.595 |
0.597 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.050, 0.148, 1.10 |
0.086, 0.155, 1.36 |
0.063, 0.154, 1.06 |
| No. of reflections |
4050 |
4174 |
4196 |
| No. of parameters |
301 |
382 |
327 |
| No. of restraints |
0 |
291 |
0 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.19, −0.22 |
0.21, −0.23 |
0.23, −0.27 |