Information card for entry 2209908

Structure parameters

• Chemical name: 1-Amino-2-anilino-4-(4-fluorobenzylidene)-1H-imidazol-5(4H)-one
• Formula: C16 H13 F N4 O
• Calculated formula: C16 H13 F N4 O
• SMILES: Fc1ccc(cc1)/C=C1N=C(N(N)C\1=O)Nc1ccccc1
• Title of publication: 1-Amino-2-anilino-4-(4-fluorobenzylidene)-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Authors of publication: Zhang, Qian; Jiao, Yuan-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3508 - o3509
• a: 5.5218 ± 0.0005 Å
• b: 25.529 ± 0.002 Å
• c: 10.0165 ± 0.0009 Å
• α: 90°
• β: 100.553 ± 0.002°
• γ: 90°
• Cell volume: 1388.1 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1371
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes