Information card for entry 7250394

Structure parameters

• Formula: C7 H12 N2 O6
• Calculated formula: C7 H12 N2 O6
• Title of publication: Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity
• Authors of publication: Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 3456 - 3466
• a: 5.1105 ± 0.0006 Å
• b: 7.7802 ± 0.0009 Å
• c: 13.1733 ± 0.0013 Å
• α: 77.211 ± 0.009°
• β: 89.735 ± 0.009°
• γ: 76.363 ± 0.01°
• Cell volume: 495.76 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0673
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No