Information card for entry 7248297

Structure parameters

• Formula: C15 H19 N5
• Calculated formula: C15 H19 N5
• SMILES: n1c(nc(nc1c1ccc(cc1)C)N1CCCCC1)N
• Title of publication: 6-Aryl-4-cycloamino-1,3,5-triazine-2-amines: synthesis, antileukemic activity, and 3D-QSAR modelling
• Authors of publication: Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Tiekink, Edward R. T.; Dolzhenko, Anton V.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 8264 - 8282
• a: 8.867 ± 0.0001 Å
• b: 7.143 ± 0.0001 Å
• c: 22.2918 ± 0.0003 Å
• α: 90°
• β: 90.537 ± 0.001°
• γ: 90°
• Cell volume: 1411.83 ± 0.03 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No