Information card for entry 7160445

Structure parameters

• Formula: C9 H10 N4
• Calculated formula: C9 H10 N4
• Title of publication: Biocompatible silicomolybdic acid-promoted one-pot expeditious synthesis of 1,2,3-<i>NH</i>-triazoles.
• Authors of publication: Ansari, Danish; Jaiswal, Manoj K.; Yadav, Mangal S.; Pandey, Vinay K.; Singh, Mayank; Tiwari, Vinod K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 4045 - 4057
• a: 4.987 ± 0.0001 Å
• b: 9.0189 ± 0.0002 Å
• c: 19.7788 ± 0.0004 Å
• α: 90°
• β: 93.055 ± 0.002°
• γ: 90°
• Cell volume: 888.33 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2608
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No