Information card for entry 4517704

Structure parameters

• Formula: C11 H13 N3 O
• Calculated formula: C11 H13 N3 O
• SMILES: c1ccccc1c1nnn(c1)CC(O)C
• 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: 9.873 ± 0.002 Å
• b: 12.958 ± 0.003 Å
• c: 8.353 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1068.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No