Information card for entry 2216519

Structure parameters

• Chemical name: 2-(6-Oxo-3,4-diphenyl-1,6-dihydropyridazin-1-yl)acetic acid
• Formula: C18 H14 N2 O3
• Calculated formula: C18 H14 N2 O3
• SMILES: O=c1n(nc(c(c1)c1ccccc1)c1ccccc1)CC(=O)O
• Title of publication: 2-(6-Oxo-3,4-diphenyl-1,6-dihydropyridazin-1-yl)acetic acid
• Authors of publication: Abdullah Aydın; Deniz S. Doğruer; Mehmet Akkurt; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4522 - o4522
• a: 10.3646 ± 0.0011 Å
• b: 10.341 ± 0.0009 Å
• c: 15.5884 ± 0.0017 Å
• α: 90°
• β: 109.721 ± 0.008°
• γ: 90°
• Cell volume: 1572.8 ± 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: 0.0946
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes