Information card for entry 8106837

Structure parameters

• Chemical name: 5-methyl(2-(1,10-phenanthrolin-5-ylimino)methyl)phenol hydrate
• Formula: C20 H17 N3 O2
• Calculated formula: C20 H17 N3 O2
• Title of publication: Crystal structure of (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-5-methylphenol monohydrate, C20H15N3O·H2O
• Authors of publication: Tsosane, Mampotso S.; Visser, Hendrik G.; Brink, Alice
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 237 - 239
• a: 7.066 ± 0.003 Å
• b: 9.996 ± 0.004 Å
• c: 12.873 ± 0.005 Å
• α: 86.007 ± 0.014°
• β: 74.861 ± 0.014°
• γ: 69.596 ± 0.013°
• Cell volume: 822.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No