Information card for entry 2218553

Structure parameters

• Chemical name: 2-[2-(4-Benzylpiperazin-1-ylcarbonyl)ethyl]-5,6-diphenylpyridazin-3(2H)-one
• Formula: C30 H30 N4 O2
• Calculated formula: C30 H30 N4 O2
• SMILES: O=c1n(nc(c(c1)c1ccccc1)c1ccccc1)CCC(=O)N1CCN(CC1)Cc1ccccc1
• Title of publication: 2-[2-(4-Benzylpiperazin-1-ylcarbonyl)ethyl]-5,6-diphenylpyridazin-3(2<i>H</i>)-one
• Authors of publication: Aydın, Abdullah; Doğruer, Deniz S.; Akkurt, Mehmet; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1030
• a: 15.6725 ± 0.0012 Å
• b: 9.1139 ± 0.0005 Å
• c: 17.6743 ± 0.0012 Å
• α: 90°
• β: 90.553 ± 0.006°
• γ: 90°
• Cell volume: 2524.4 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes