| Crystal data |
| Chemical formula |
C25H22ClNO2
|
C16H13BrN2O2
|
C23H20N2O3
|
C22H17ClN2O2
|
|
M
r
|
403.89 |
345.19 |
372.41 |
376.83 |
| Crystal system, space group |
Orthorhombic, P
b
c
n
|
Monoclinic, P21/c
|
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
100 |
100 |
100 |
100 |
|
a, b, c (Å) |
10.1558 (7), 12.1446 (9), 33.605 (2) |
9.7223 (7), 10.2804 (7), 13.9652 (10) |
9.7561 (7), 10.0258 (7), 10.8942 (8) |
9.5830 (7), 9.7555 (7), 10.2307 (7) |
| α, β, γ (°) |
90, 90, 90 |
90, 91.238 (2), 90 |
116.415 (5), 91.843 (4), 97.963 (4) |
79.546 (6), 77.966 (6), 87.455 (7) |
|
V (Å3) |
4144.8 (5) |
1395.48 (17) |
939.84 (12) |
919.87 (11) |
|
Z
|
8 |
4 |
2 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.21 |
2.95 |
0.09 |
0.23 |
| Crystal size (mm) |
0.22 × 0.19 × 0.07 |
0.22 × 0.19 × 0.05 |
0.24 × 0.21 × 0.03 |
0.48 × 0.36 × 0.16 |
| |
| Data collection |
| Diffractometer |
Rigaku Mercury CCD |
Rigaku Mercury CCD |
Rigaku Mercury CCD |
Rigaku Mercury CCD |
| Absorption correction |
– |
Multi-scan (SADABS; Sheldrick, 1996 ▸) |
– |
Multi-scan (SADABS; Sheldrick, 1996 ▸) |
|
T
min, T
max
|
– |
0.563, 0.867 |
– |
0.899, 0.965 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
27690, 4720, 3714 |
14919, 3213, 2911 |
12625, 4305, 3782 |
13253, 4138, 3363 |
|
R
int
|
0.079 |
0.042 |
0.028 |
0.023 |
| (sin θ/λ)max (Å−1) |
0.648 |
0.650 |
0.650 |
0.649 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.053, 0.153, 1.05 |
0.040, 0.108, 1.07 |
0.035, 0.097, 1.06 |
0.031, 0.085, 1.06 |
| No. of reflections |
4720 |
3213 |
4305 |
4138 |
| No. of parameters |
266 |
193 |
257 |
247 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.54, −0.25 |
1.26, −0.83 |
0.30, −0.22 |
0.27, −0.23 |
