Table 1 Crystallographic data for 4-substituted methylidene oxindoles
From: Synthesis and solid-state characterisation of 4-substituted methylidene oxindoles
| Â | 3a | 3b | 3c | 3d | 3e |
|---|---|---|---|---|---|
Empirical Formula | C15H12BrNO2 | C15H12ClNO2 | C16H13NO2 | C16H13NO | C15H10N2O3 |
Formula Weight | 318.17 | 273.71 | 251.27 | 235.27 | 266.25 |
T/K | 120(2) | 120(2) | 120(2) | 120(2) | 120(2) |
Crystal System | Monoclinic | Monoclinic | Triclinic | Triclinic | Monoclinic |
Space Group | C2/c | C2/c | P−1 | P−1 | P21/c |
a/Ã… | 19.623(3) | 19.6553(12) | 4.1302(2) | 8.1168(4) | 9.9484(11) |
b/Ã… | 4.0710(5) | 4.0406(2) | 12.9513(9) | 9.2556(4) | 7.9134(10) |
c/Ã… | 32.979(4) | 32.653(2) | 13.0829(9) | 9.3927(3) | 16.013(2) |
α/° | 90 | 90 | 62.708(3) | 62.290(2) | 90 |
β/° | 101.698(3) | 101. 378(2) | 86.495(4) | 80.933(3) | 104.340(8) |
γ/° | 90 | 90 | 86.546(4) | 72.180(2) | 90 |
V/Ã…3 | 2579.8(6) | 2542.3(3) | 620.35(7) | 594.64(4) | 1221.4(3) |
Dcalcd/g cm-3 | 1.638 | 1.430 | 1.345 | 1.314 | 1.448 |
Independent reflections | 2888 | 2890 | 2830 | 2701 | 2062 |
R int | 0.0715 | 0.0578 | 0.0592 | 0.0506 | 0.0526 |
Data/restraints/parameters | 2888/7/181 | 2890/7/181 | 2830/0/173 | 2701/0/165 | 2062/0/181 |
Absorption coefficient/mm-1 | 3.183 | 0.297 | 0.089 | 0.082 | 0.103 |
R1/wR2 (observed data: F2 > 2σ(F2)) | 0.0785/0.1445 | 0.0470/0.1209 | 0.0877/0.1398 | 0.0647/0.1240 | 0.0623/0.1246 |
R1/wR2 (all data) | 0.1198/0.1671 | 0.0657/0.1320 | 0.1415/0.1633 | 0.0924/0.1419 | 0.1026/0.1497 |