Information card for entry 1547187

Structure parameters

• Formula: C22 H20 Cl2 N4 O4
• Calculated formula: C22 H20 Cl2 N4 O4
• SMILES: Clc1ccc(cc1)c1nc(N)c(cc1/N=N/c1cccc(Cl)c1)C(=O)OCC.OC(=O)C
• 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: 7.5481 ± 0.0006 Å
• b: 21.3823 ± 0.0013 Å
• c: 27.862 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4496.8 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No