Information card for entry 7150359

Structure parameters

• Common name: 3,5-diazido-4-methyl(1,5-b)tetrazolopridazine
• Chemical name: 3,5-diazido-4-methyl[1,5-b]tetrazolopridazine
• Formula: C5 H3 N11
• Calculated formula: C5 H3 N11
• SMILES: c1(c(c(c2nnnn2n1)N=N#N)C)N=N#N
• Title of publication: Studies on pyridazine azide cyclisation reactions.
• Authors of publication: Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 1782 - 1788
• a: 8.124 ± 0.004 Å
• b: 16.606 ± 0.01 Å
• c: 7.179 ± 0.003 Å
• α: 90°
• β: 113.24 ± 0.02°
• γ: 90°
• Cell volume: 889.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.2443
• Residual factor for significantly intense reflections: 0.2088
• Weighted residual factors for significantly intense reflections: 0.5283
• Weighted residual factors for all reflections included in the refinement: 0.5585
• Goodness-of-fit parameter for all reflections included in the refinement: 2.339
• Diffraction radiation wavelength: 0.56356 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No