Information card for entry 7112704

Structure parameters

• Formula: C11 H7 Cl N4 O
• Calculated formula: C11 H7 Cl N4 O
• SMILES: C1C(=C\Cl)/n2c(=O)c(cc(c2N1C)C#N)C#N
• Title of publication: A practical two-step synthesis of imidazo[1,2-a]pyridines from N-(prop-2-yn-1-yl)pyridin-2-amines.
• Authors of publication: Sucunza, David; Samadi, Abdelouahid; Chioua, Mourad; Silva, Daniel B.; Yunta, Cristina; Infantes, Lourdes; Carmo Carreiras, M.; Soriano, Elena; Marco-Contelles, José
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 5043 - 5045
• a: 5.901 ± 0.0004 Å
• b: 8.991 ± 0.0007 Å
• c: 10.139 ± 0.0008 Å
• α: 82.408 ± 0.002°
• β: 81.742 ± 0.002°
• γ: 82.153 ± 0.002°
• Cell volume: 523.89 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.734
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No