Information card for entry 4503243

Structure parameters

• Formula: C15 H18 N6 O2
• Calculated formula: C15 H18 N6 O2
• SMILES: n1c(nc(nc1N)c1ccc(cc1)C)N.N1C(=O)CCCC1=O
• Title of publication: Multiple Hydrogen Bonds in the Self-Assembly of Aminotriazine and Glutarimide. Decisive Role of the Triazine Substituents
• Authors of publication: Manzano, Blanca R.; Jalón, Félix A.; Soriano, M. Laura; Rodríguez, Ana M.; Hoz, Antonio de la; Sánchez-Migallón, Ana
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1585
• a: 10.676 ± 0.0009 Å
• b: 14.958 ± 0.001 Å
• c: 16.073 ± 0.001 Å
• α: 112.596 ± 0.004°
• β: 102.455 ± 0.005°
• γ: 93.961 ± 0.004°
• Cell volume: 2280.8 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1196
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No