Table 1.
Crystallographic data and refinement parameters for fenamic acids–acridine complexes.
| Crystal Data | 1 | 2 | 3 |
|---|---|---|---|
| Chemical formula | C14H10F3NO2 · C13H9N | C15H15NO2 · C13H9N | C14H12ClNO2 · C13H9N |
| Mr | 460.44 | 420.49 | 440.91 |
| Crystal system, space group | Monoclinic, P21/n | Triclinic, P-1 | Triclinic, P-1 |
| Temperature (K) | 100(2) | 100(2) | 100(2) |
| a (Å) | 9.348(3) | 8.052(3) | 8.0560(18) |
| b (Å) | 7.976(2) | 9.788(3) | 9.6596(19) |
| c (Å) | 29.100(9) | 14.695(4) | 14.880(3) |
| α (°) | 103.10(3) | 103.69(2) | |
| β (°) | 92.86(3) | 101.01(3) | 101.73 (2) |
| γ (°) | 98.15(3) | 99.44(2) | |
| V (Å 3) | 2167.0(11) | 1086.3(6) | 1073.8(4) |
| Z | 4 | 2 | 2 |
| Radiation type | Mo Kα | Mo Kα | Mo Kα |
| Crystal size (mm) | 0.37 × 0.30 × 0.28 | 0.70 × 0.67 x 0.60 | 0.18 × 0.18 × 0.15 |
| Data collection | |||
| Diffractometer | Xcalibur, Ruby, Gemini ultra-CCD κ-geometry diffractometer | Xcalibur, Ruby-CCD κ-geometry diffractometer | XtaLAB Synergy R, DW system, HyPix-Arc 150 diffractometer |
| No. of measured, independent and observed [I >2σ(I)] reflections | 24291, 6404, 5076 | 9125, 5884, 4667 | 15700, 5380, 4656 |
| Rint | 0.025 | 0.020 | 0.017 |
| Refinement | |||
| R[F2 > 2σ(F2)], wR(F2), S | 0.047, 0.118, 1.03 | 0.047, 0.126, 1.04 | 0.040, 0.115, 1.04 |
| No. of parameters | 342 | 297 | 296 |
| No. of restraints | 0 | 0 | 0 |
| 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 |
| Δρmax, Δρmin (e Å−3) | 0.37, −0.27 | 0.38, −0.25 | 1.18, −0.36 |