Information card for entry 1547184

Structure parameters

• Common name: Hamada_F4_20_05_12
• Formula: C15 H11 Cl N2 O2
• Calculated formula: C15 H11 Cl N2 O2
• SMILES: Clc1ccc(C(=O)/C(=N/Nc2ccccc2)C=O)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: 6.0147 ± 0.0002 Å
• b: 7.3767 ± 0.0002 Å
• c: 16.5968 ± 0.0004 Å
• α: 80.941 ± 0.002°
• β: 85.362 ± 0.001°
• γ: 67.694 ± 0.001°
• Cell volume: 672.6 ± 0.03 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: 0.0379
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No