Information card for entry 4517705

Structure parameters

• Formula: C13 H17 N3 O2
• Calculated formula: C13 H17 N3 O2
• SMILES: c1ccccc1C(CO)n1nnc(c1)C(C)(C)O
• Title of publication: Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water
• Authors of publication: Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 5.7635 ± 0.0013 Å
• b: 24.996 ± 0.006 Å
• c: 8.917 ± 0.002 Å
• α: 90°
• β: 97.92 ± 0.02°
• γ: 90°
• Cell volume: 1272.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2462
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No