Information card for entry 4022463

Structure parameters

• Chemical name: compound-7
• Formula: C16 H13 F N4 O
• Calculated formula: C16 H13 F N4 O
• SMILES: Fc1ccc(c2nc3n(c2)cc(cc3)n2ccnc2)cc1.O
• Title of publication: Ipso- or Cine-Substitutions of 6-Haloimidazo[1,2-a]pyridine Derivatives with Different Azoles Depending on the Reaction Conditions
• Authors of publication: Cécile Enguehard; Hassan Allouchi; Alain Gueiffier; Stephen L. Buchwald
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 5614 - 5617
• a: 7.247 ± 0.008 Å
• b: 14.078 ± 0.006 Å
• c: 14.564 ± 0.007 Å
• α: 110.59 ± 0.03°
• β: 90.06 ± 0.08°
• γ: 93.6 ± 0.07°
• Cell volume: 1387.8 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1139
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No