Information card for entry 8102742

Structure parameters

• Chemical name: 3,6-bis(imidazol-1-yl)pyridazine
• Formula: C10 H8 N6
• Calculated formula: C10 H8 N6
• SMILES: n1nc(n2cncc2)ccc1n1cncc1
• Title of publication: Crystal structure of 3,6-bis(imidazol-1-yl)pyridazine, C10H8N6
• Authors of publication: Shouwen Jin; Zhiwen Zheng; Li Quan Wang; Wenbiao Zhang; Daqi Wang; Xiaolei Xu; Song Bai Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 467
• a: 3.7908 ± 0.0005 Å
• b: 15.3585 ± 0.0014 Å
• c: 16.242 ± 0.0015 Å
• α: 90°
• β: 96.642 ± 0.001°
• γ: 90°
• Cell volume: 939.28 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No