Information card for entry 2003274

Structure parameters

• Formula: C10 H12 F N5 O
• Calculated formula: C10 H12 F N5 O
• SMILES: Nc1nnc(c(n1)N)c1ccccc1F.CO
• Title of publication: A Lamotrigine Analogue: 3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine Methanol Solvate
• Authors of publication: Janes, R. W.; Palmer, R. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 440 - 442
• a: 15.412 ± 0.008 Å
• b: 8.169 ± 0.002 Å
• c: 19.487 ± 0.004 Å
• α: 90°
• β: 110.91 ± 0.03°
• γ: 90°
• Cell volume: 2291.8 ± 1.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0733
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No