Information card for entry 7135793

Structure parameters

• Formula: C10 H13 N5 O2
• Calculated formula: C10 H13 N5 O2
• Title of publication: Can Cyclopropyl Rings Serve as Energetic Moieties? A Structural and Reactivity Perspective
• Authors of publication: Kukreja, Sonali; K, Anupama; Dharavath, Srinivas
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 10.1778 ± 0.0004 Å
• b: 5.2062 ± 0.0002 Å
• c: 21.0514 ± 0.0008 Å
• α: 90°
• β: 97.125 ± 0.001°
• γ: 90°
• Cell volume: 1106.85 ± 0.07 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: 0.0453
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No