Information card for entry 7240362

Structure parameters

• Common name: Hamada_GH180_18_11_18
• Formula: C19 H12 Cl N5
• Calculated formula: C19 H12 Cl N5
• SMILES: Clc1ccc(c2c(c3nc(nn3cc2)Nc2ccccc2)C#N)cc1
• Title of publication: A facile, practical and metal-free microwave-assisted protocol for mono- and bis-[1,2,4]triazolo[1,5-a]pyridines synthesis utilizing 1-amino-2-imino-pyridine derivatives as versatile precursors
• Authors of publication: Ibrahim, Hamada Mohamed; Behbehani, Haider; Ahmed Arafa, Wael Abdelgayed
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 26
• Pages of publication: 15554 - 15572
• a: 8.9886 ± 0.0008 Å
• b: 12.8468 ± 0.001 Å
• c: 15.1372 ± 0.0012 Å
• α: 71.352 ± 0.004°
• β: 80.896 ± 0.004°
• γ: 86.548 ± 0.005°
• Cell volume: 1635.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.598
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No