Information card for entry 8105687

Structure parameters

• Formula: C17 H17 N3 O2
• Calculated formula: C17 H17 N3 O2
• Title of publication: Crystal structure of (E)-(4-imidazol-1-yl-phenyl)-(2-methoxy-benzylidene)-amine monohydrate, C17H17N3O2
• Authors of publication: Xiao, Lufei; Li, Jie; Liang, Qirui; Liu, Jie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 327 - 329
• a: 10.655 ± 0.005 Å
• b: 5.056 ± 0.005 Å
• c: 28.712 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.034 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1527.6 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.0693
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No