Information card for entry 7232083

Structure parameters

• Formula: C9 H12 N4 O6
• Calculated formula: C9 H12 N4 O6
• Title of publication: Multicomponent crystals of nitrofurazone – when more is less
• Authors of publication: Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1091
• a: 15.801 ± 0.003 Å
• b: 12.931 ± 0.003 Å
• c: 24.475 ± 0.005 Å
• α: 90°
• β: 90.04 ± 0.03°
• γ: 90°
• Cell volume: 5000.8 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No