Table 1.
Crystallographic data and structure refinement details of NS4.
| Empirical formula | C16H15ClN2S2 |
| Formula weight | 334.89 |
| Temperature (K) | 150 |
| Crystal class | Triclinic |
| Space group | P-1 |
| Unit cell dimensions | |
| a (Å) | 6.2206(7) |
| b (Å) | 9.7222(10) |
| c (Å) | 13.5943(14) |
| α (°) | 89.729(8) |
| β (°) | 101.960(9) |
| γ (°) | 97.447(9) |
| Volume (Å3) | 797.32(15) |
| Z | 2 |
| ρ calc (g cm−3) | 1.39 |
| Radiation type | Cu Kα |
| Wavelength (Å) | 1.5418 |
| Crystal size (mm) | 0.06 × 0.08 × 0.18 |
| θ Range for data collection (°) | 3–72 |
| Reflections measured/independent | 7883/2834 (R int = 0.0327) |
| θ max | 71.6937 |
| Limiting indices | −7 ≤ h ≤ 7 |
| −11 ≤ k ≤ 11 | |
| −16 ≤ l ≤ 16 | |
| Refinement on | F |
| R-factor | 0.066 |
| R w-factor | 0.178 |
| Goodness of fit (S) | 0.97 |
| Minimum and maximum residual electron density (eÅ−3) | −0.45 and 0.80 |
| Reflections used | 2821 |
| Number of parameters | 190 |