Information card for entry 7222976

Structure parameters

• Common name: Hamada_FK130C_23_03_15
• Chemical name: 4g
• Formula: C25 H16 N4 O5
• Calculated formula: C25 H16 N4 O5
• SMILES: O(c1ccc(cc1)C(=O)c1cc(c2nc3c(n2n1)cc(N(=O)=O)cc3)C(=O)c1ccccc1)C
• Title of publication: Microwave-Assisted Synthesis in Water: First one-pot Synthesis of A novel Class of Polysubstituted Benzo[4,5]imidazo[1,2-b]pyridazines via Intramolecular SNAr
• Authors of publication: Behbehani, Haider; Ibrahim, Hamada Mohamed
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.2274 ± 0.0004 Å
• b: 7.0898 ± 0.0002 Å
• c: 21.0075 ± 0.0006 Å
• α: 90°
• β: 97.677 ± 0.002°
• γ: 90°
• Cell volume: 2100.02 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No