Information card for entry 1547186

Structure parameters

• Common name: Hamada_F24_22_04_12
• Formula: C20 H16 Cl N5 O4
• Calculated formula: C20 H16 Cl N5 O4
• SMILES: Clc1ccc(c2nc(N)c(C(=O)OCC)cc2/N=N/c2ccc(N(=O)=O)cc2)cc1
• Title of publication: Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents
• Authors of publication: Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi
• Journal of publication: Chemistry Central Journal
• Year of publication: 2013
• Journal volume: 7
• Pages of publication: 123
• a: 27.918 ± 0.004 Å
• b: 6.6325 ± 0.0008 Å
• c: 24.125 ± 0.003 Å
• α: 90°
• β: 113.965 ± 0.009°
• γ: 90°
• Cell volume: 4082 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No