Table 3. Crystallographic Details of the Compounds.
| QPT | QBT | |
|---|---|---|
| molecular formula | C18H15N5O2S | C16H13N5O2S |
| formula weight | 365.41 | 339.37 |
| temperature | 296 K | 300 K |
| wavelength | 0.71073 Å | 0.71073 Å |
| crystal system | monoclinic | monoclinic |
| space group | P21/c | P21/c |
| unit cell dimensions | a = 12.8882(12) Å; α = 90° | a = 13.888(2) Å; α = 90° |
| b = 16.8832(15) Å; β = 106.261(3)° | b = 4.7349(8) Å; β = 91.509° | |
| c = 7.8668(7) Å; γ = 90° | c = 23.274(4) Å; γ = 90° | |
| volume | 1643.3(3) Å3 | 1529.9(4) |
| Z | 4 | 4 |
| density (calculated) | 1.477 mg/m3 | 1.473 mg/m3 |
| absorption coefficient | 0.222 mm–1 | 0.232 mm–1 |
| F(000) | 760 | 704.0 |
| index ranges | h = 16, k = 21, l = 10 | h = 19, k = 6, l = 2 |
| CCDC no. | 1957058 | 1961067 |