Information card for entry 8106192

Structure parameters

• Formula: C12 H11 N5
• Calculated formula: C12 H11 N5
• Title of publication: Crystal structure of 7-(4-methylphenyl)imidazo[1,2-a][1,3,5]triazin-4-amine, C12H11N5
• Authors of publication: Lim, Felicia Phei Lin; Dolzhenko, Anton V.; Halcovitch, Nathan R.; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 489 - 490
• a: 7.3455 ± 0.0001 Å
• b: 12.247 ± 0.0001 Å
• c: 12.1689 ± 0.0001 Å
• α: 90°
• β: 103.505 ± 0.001°
• γ: 90°
• Cell volume: 1064.45 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No