Information card for entry 8105061

Structure parameters

• Chemical name: Bis(imidazole-1-yl)methane
• Formula: C7 H10 N4 O
• Calculated formula: C7 H10 N4 O
• Title of publication: The crystal structure of bis(imidazole-1-yl)methane monohydrate, C7H10N4O
• Authors of publication: Wang, Yong; Yuan, Jun; Cao, Duanlin; Wang, Jianlong; Chen, Lizhen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 215 - 216
• a: 15.7815 ± 0.0013 Å
• b: 4.3242 ± 0.0003 Å
• c: 12.4658 ± 0.0009 Å
• α: 90°
• β: 106.301 ± 0.008°
• γ: 90°
• Cell volume: 816.5 ± 0.11 ų
• Cell temperature: 113.25 ± 0.1 K
• Ambient diffraction temperature: 113.25 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No