Information card for entry 7131900

Structure parameters

• Chemical name: orthorhombic
• Formula: C5 H7 N3
• Calculated formula: C5 H7 N3
• Title of publication: Copper-catalysed dehydrogenative self-coupling/cyclization of 5-aminopyrazoles: synthesis and photophysical study of pyridazines.
• Authors of publication: Rastogi, Gaurav K.; Deb, Mohit L.; Baruah, Pranjal K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 63
• Pages of publication: 9642 - 9645
• a: 21.861 ± 0.006 Å
• b: 6.7837 ± 0.0016 Å
• c: 7.501 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1112.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No