Information card for entry 1547185

Structure parameters

• Formula: C20 H16 Cl2 N4 O2
• Calculated formula: C20 H16 Cl2 N4 O2
• SMILES: Clc1ccc(/N=N/c2c(nc(N)c(c2)C(=O)OCC)c2ccc(Cl)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: 7.7965 ± 0.0011 Å
• b: 11.0035 ± 0.0013 Å
• c: 12.2289 ± 0.0017 Å
• α: 70.789 ± 0.008°
• β: 89.602 ± 0.007°
• γ: 85.231 ± 0.007°
• Cell volume: 987 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No