Information card for entry 7251074

Structure parameters

• Formula: C6 H10 N6 O
• Calculated formula: C6 H10 N6 O
• Title of publication: A methyl-driven strategy enhances sensitivity through the modulation of aromaticity
• Authors of publication: Guo, Benyue; Hu, Lu; Pang, Siping
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 45
• Pages of publication: 7328 - 7332
• a: 6.869 ± 0.0006 Å
• b: 8.1816 ± 0.0007 Å
• c: 14.4226 ± 0.0013 Å
• α: 90°
• β: 95.38 ± 0.003°
• γ: 90°
• Cell volume: 806.97 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.2602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No