Information card for entry 2023299

Structure parameters

• Chemical name: 2-{4-[(2-Chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl}-<i>N</i>-phenylacetamide
• Formula: C20 H18 Cl N3 O2
• Calculated formula: C20 H18 Cl N3 O2
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl}-N-phenylacetamide
• Authors of publication: Assila, Hamza; Zaoui, Younes; Kalonji Mubengayi, Camille; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef; Ansar, Mhammed
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1221 - 1225
• a: 10.1898 ± 0.0006 Å
• b: 6.7445 ± 0.0004 Å
• c: 14.2538 ± 0.0011 Å
• α: 90°
• β: 110.901 ± 0.002°
• γ: 90°
• Cell volume: 915.13 ± 0.1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No