Information card for entry 2236635

Structure parameters

• Chemical name: 1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6- dihydropyridazin-1-yl)propan-1-one
• Formula: C29 H27 Cl N4 O2
• Calculated formula: C29 H27 Cl N4 O2
• SMILES: Clc1ccc(N2CCN(C(=O)CCn3nc(c(cc3=O)c3ccccc3)c3ccccc3)CC2)cc1
• Title of publication: 1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6-dihydropyridazin-1-yl)propan-1-one
• Authors of publication: Aydın, Abdullah; Akkurt, Mehmet; Doğruer, Deniz S.; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2720
• a: 10.7929 ± 0.001 Å
• b: 10.8527 ± 0.001 Å
• c: 12.7815 ± 0.0013 Å
• α: 97.745 ± 0.008°
• β: 104.041 ± 0.007°
• γ: 115.635 ± 0.007°
• Cell volume: 1259.3 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes