Information card for entry 7221141

Structure parameters

• Formula: C7 H11 N3 O3
• Calculated formula: C7 H11 N3 O3
• SMILES: OCc1nnn(c1)CC(=O)OCC
• Title of publication: Synthesis of 2-triazolyl-imidazo[1,2-a]pyridine through one-pot three-component reaction using nano copper oxide assisted click-catalyst
• Authors of publication: Khan, Abu Taleb; Ray Bagdi, Prasanta; Basha R, Sidick
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.9591 ± 0.0004 Å
• b: 4.8417 ± 0.0003 Å
• c: 23.7648 ± 0.0014 Å
• α: 90°
• β: 94.296 ± 0.005°
• γ: 90°
• Cell volume: 913.22 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No