Information card for entry 1547183

Structure parameters

• Common name: Hamada_F8_30_09_12_a
• Formula: C15 H10 Cl2 N2 O2
• Calculated formula: C15 H10 Cl2 N2 O2
• SMILES: Clc1ccc(cc1)N/N=C(/C(=O)c1ccc(Cl)cc1)C=O
• 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: 6.357 ± 0.0003 Å
• b: 7.2377 ± 0.0003 Å
• c: 16.7375 ± 0.0007 Å
• α: 80.359 ± 0.003°
• β: 82.469 ± 0.003°
• γ: 72.36 ± 0.003°
• Cell volume: 720.87 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.9
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No