| Crystal data |
| Chemical formula |
[ZnCl2(C7H7NO)2] |
[ZnCl2(C8H9NO)2] |
[ZnCl2(C8H9NO)2] |
[ZnCl2(C8H9NO)2] |
[ZnCl2(C7H7NO2)2] |
|
M
r
|
378.54 |
406.59 |
406.59 |
406.59 |
410.54 |
| Crystal system, space group |
Monoclinic, P21/n
|
Monoclinic, P21
|
Monoclinic, C2/c
|
Monoclinic, P21/c
|
Monoclinic, C
c
|
| Temperature (K) |
100 |
100 |
100 |
100 |
100 |
|
a, b, c (Å) |
20.6241 (11), 7.3309 (4), 20.6485 (11) |
7.3802 (3), 8.2491 (3), 14.5953 (5) |
13.9452 (11), 18.9742 (16), 7.0651 (6) |
6.8376 (4), 17.2694 (9), 14.9856 (7) |
7.0532 (6), 21.3776 (17), 11.1181 (9) |
| β (°) |
90.532 (1) |
97.852 (1) |
108.021 (2) |
96.893 (2) |
106.477 (2) |
|
V (Å3) |
3121.8 (3) |
880.23 (6) |
1777.7 (3) |
1756.73 (16) |
1607.5 (2) |
|
Z
|
8 |
2 |
4 |
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
1.92 |
1.71 |
1.69 |
1.71 |
1.88 |
| Crystal size (mm) |
0.6 × 0.60 × 0.35 |
0.5 × 0.16 × 0.11 |
0.42 × 0.14 × 0.14 |
0.56 × 0.18 × 0.09 |
0.15 × 0.09 × 0.07 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker APEXII CCD |
Bruker APEXII CCD |
Bruker APEXII CCD |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.558, 0.746 |
0.478, 0.680 |
0.620, 0.746 |
0.629, 0.746 |
0.673, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
48491, 9668, 9501 |
20749, 5348, 5135 |
12177, 2295, 2023 |
33806, 5376, 4283 |
17255, 4168, 3809 |
|
R
int
|
0.023 |
0.025 |
0.027 |
0.051 |
0.042 |
| (sin θ/λ)max (Å−1) |
0.718 |
0.714 |
0.676 |
0.715 |
0.676 |
| |
| Refinement |
|
R[F2 > 2σ(F
2)], wR(F
2), S
|
0.022, 0.053, 1.07 |
0.018, 0.039, 1.00 |
0.022, 0.059, 1.05 |
0.031, 0.069, 1.01 |
0.030, 0.065, 1.05 |
| No. of reflections |
9668 |
5348 |
2295 |
5376 |
4168 |
| No. of parameters |
404 |
223 |
113 |
222 |
227 |
| No. of restraints |
8 |
5 |
17 |
4 |
8 |
| 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 |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.43, −0.35 |
0.31, −0.24 |
0.39, −0.26 |
0.46, −0.32 |
0.46, −0.29 |
| Absolute structure |
– |
Refined as an inversion twin. |
– |
– |
Refined as an inversion twin |
| Absolute structure parameter |
– |
0.016 (6) |
– |
– |
0.024 (13) |