Information card for entry 8106648

Structure parameters

• Formula: C17 H20 N4 O2
• Calculated formula: C17 H20 N4 O2
• Title of publication: Crystal structure of 2-(2-ethoxyphenyl)-7-propyl-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, C17H20N4O2
• Authors of publication: Wang, Kun-Yan; Yang, Xiao-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 703 - 705
• a: 7.2692 ± 0.0004 Å
• b: 10.5261 ± 0.0005 Å
• c: 20.9563 ± 0.001 Å
• α: 95.422 ± 0.002°
• β: 95.122 ± 0.002°
• γ: 96.574 ± 0.002°
• Cell volume: 1577.69 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1013
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No