Information card for entry 2219569

Structure parameters

• Chemical name: 7-Dimethylamino-2-phenyl-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5-amine methanol solvate
• Formula: C13 H17 N7 O
• Calculated formula: C13 H17 N7 O
• SMILES: n1c(nn2c1nc(nc2N(C)C)N)c1ccccc1.OC
• Title of publication: 7-Dimethylamino-2-phenyl-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5-amine methanol solvate
• Authors of publication: Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Woo, Su Fen; Chui, Wai Keung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2021
• a: 6.9963 ± 0.0005 Å
• b: 8.0435 ± 0.0005 Å
• c: 13.0942 ± 0.0009 Å
• α: 93.493 ± 0.001°
• β: 93.972 ± 0.001°
• γ: 102.883 ± 0.001°
• Cell volume: 714.39 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0466
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes