Information card for entry 1555154

Structure parameters

• Formula: C14 H11 Cl N2
• Calculated formula: C14 H11 Cl N2
• SMILES: Clc1n2ccccc2nc1c1ccc(cc1)C
• Title of publication: Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.
• Authors of publication: Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3998 - 4001
• a: 15.4081 ± 0.0005 Å
• b: 7.7461 ± 0.0003 Å
• c: 19.9246 ± 0.0006 Å
• α: 90°
• β: 98.208 ± 0.003°
• γ: 90°
• Cell volume: 2353.69 ± 0.14 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No