Information card for entry 7154599

Structure parameters

• Formula: C14 H11 I N2 S
• Calculated formula: C14 H11 I N2 S
• SMILES: n12c(nc(c3ccccc3)c1SC)ccc(c2)I
• Title of publication: Organopromoted direct synthesis of 6-iodo-3-methylthioimidazo[1,2-a]pyridines via convergent integration of three self-sorting domino sequences.
• Authors of publication: Liu, Shan; Xi, Hailing; Zhang, Jingjing; Wu, Xia; Gao, Qinghe; Wu, Anxin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 8807 - 8811
• a: 7.9798 ± 0.0013 Å
• b: 8.2157 ± 0.0014 Å
• c: 11.2639 ± 0.0018 Å
• α: 91.83 ± 0.002°
• β: 96.597 ± 0.003°
• γ: 110.961 ± 0.002°
• Cell volume: 682.9 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No