Information card for entry 7230860

Structure parameters

• Formula: C13 H13 N5
• Calculated formula: C13 H13 N5
• Title of publication: A one-pot, multicomponent reaction for the synthesis of novel 2-alkyl substituted 4-aminoimidazo[1,2-a][1,3,5]triazines
• Authors of publication: Lim, Felicia Phei Lin; Tan, Lin Yuing; Tiekink, Edward R. T.; Dolzhenko, Anton V.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 38
• Pages of publication: 21495
• a: 16.6173 ± 0.0002 Å
• b: 11.1707 ± 0.0001 Å
• c: 12.4074 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2303.15 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No