Information card for entry 7135852

Structure parameters

• Formula: C12 H13 N5 O4
• Calculated formula: C12 H13 N5 O4
• Title of publication: Active Pharmaceutical Ingredient Incorporated Supramolecular Materials as Antibacterial Agents
• Authors of publication: Jayabhavan, Sreejith Sudhakaran; Chandramouli, Arthi; Jayakumar, R.; Damodaran, Krishna K.
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 9.1319 ± 0.0007 Å
• b: 9.4856 ± 0.0007 Å
• c: 9.8024 ± 0.0006 Å
• α: 102.462 ± 0.002°
• β: 98.962 ± 0.002°
• γ: 106.185 ± 0.002°
• Cell volume: 774.84 ± 0.1 ų
• Cell temperature: 305 ± 2 K
• Ambient diffraction temperature: 305 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No