Information card for entry 8107312

Structure parameters

• Formula: C4 H4 N6 O2
• Calculated formula: C4 H4 N6 O2
• Title of publication: The crystal structure of 5-azido-1-methyl-4-nitroimidazole, C4H4O2N6
• Authors of publication: Huipeng, Zhao; Pengbao, Lian; Cai, Cao; LiZhen, Chen; Jianlong, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1127 - 1128
• a: 11.633 ± 0.003 Å
• b: 8.899 ± 0.003 Å
• c: 6.7638 ± 0.0018 Å
• α: 90°
• β: 105.216 ± 0.012°
• γ: 90°
• Cell volume: 675.7 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.101
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No