Research Article

Alkylation and 1,3-Dipolar Cycloaddition of 6-Styryl-4,5-dihydro-2H-pyridazin-3-one: Synthesis of Novel N-Substituted Pyridazinones and Triazolo[4,3-b]pyridazinones

Table 2

Crystal data and structure refinement parameters of compound 5a.

Chemical Formula: C13H14N2O
Formula weight: 214.26
Crystal system: monoclinicSpace group:
= 6.1966 (3) Å = 96.035 (4)°
= 7.3246 (4) Å = 568.96 (5) Å3
= 12.6055 (7) Å = 2
= 1.261 Mg m−3Mo Kα radiation, = 0.71073 Å
= 0.08 mm−1F(000) = 228
Crystal sizes = 0.25 * 0.25 * 0.18 mm3Crystal: Prism, colourless
No. of reflections collected = 13216
No. of independent reflections = 4864No. of reflections with I > 2 (I) = 3329
θ range for data collection: θ max = 36.4°, θ min = 1.6°
Goodness-of-ft on F2 = 1.04
R indices [I > 2s(I)]: R1 = 0.051, 2 = 0.167
(D/s) max < 0.001(Dr) max = 0.28 eÅ−3 (Dr)min = −0.23 eÅ−3
Measurement: X8 Apex, Bruker CCDProgram system: Apex 2
Structure determination: WinGX (SHELXL and SHELXS