Information card for entry 7240365

Structure parameters

• Formula: C12 H8 Cl N3
• Calculated formula: C12 H8 Cl N3
• SMILES: Clc1ccc(cc1)c1c(c(ncc1)N)C#N
• 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: 3.8851 ± 0.0009 Å
• b: 19.35 ± 0.004 Å
• c: 14.116 ± 0.003 Å
• α: 90°
• β: 95.964 ± 0.007°
• γ: 90°
• Cell volume: 1055.5 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.2332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No