Information card for entry 7132472

Structure parameters

• Formula: C5 H4 N6 O2
• Calculated formula: C5 H4 N6 O2
• Title of publication: Synthetic manifestation of trinitro-pyrazolo-2<i>H</i>-1,2,3-triazoles (TNPT) as insensitive energetic materials.
• Authors of publication: Balaraju, Muntha; Kommu, Nagarjuna; Vangara, Srinivas; Sahoo, Aswini K.; Thaltiri, Vikranth; Sahoo, Akhila K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 7
• Pages of publication: 827 - 830
• a: 6.6812 ± 0.001 Å
• b: 7.0171 ± 0.0011 Å
• c: 7.8472 ± 0.0012 Å
• α: 90°
• β: 104.571 ± 0.005°
• γ: 90°
• Cell volume: 356.06 ± 0.09 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No