Information card for entry 7064399

Structure parameters

• Formula: C13 H10 N4
• Calculated formula: C13 H10 N4
• Title of publication: Regioselective N2-arylation of tetrazoles under CuO nanocatalysis: a route to potent anti-MRSA agents
• Authors of publication: Almin, Arzu; Basumatary, Devi; Konwar, Dipika; Dutta, Prajjalita; Borah, Jagat C.; Bora, Utpal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 6040 - 6047
• a: 5.08 ± 0.02 Å
• b: 16.32 ± 0.07 Å
• c: 13.82 ± 0.06 Å
• α: 90°
• β: 90.01 ± 0.04°
• γ: 90°
• Cell volume: 1146 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1715
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No