Information card for entry 1547190

Structure parameters

• Formula: C22 H17 Cl2 N5 O5
• Calculated formula: C22 H17 Cl2 N5 O5
• SMILES: Clc1ccc(N(=O)=O)cc1/N=N/c1c(nc(NC(=O)C)c(c1)C(=O)OCC)c1ccc(Cl)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: 26.252 ± 0.002 Å
• b: 7.3051 ± 0.0005 Å
• c: 24.0223 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4606.8 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No