Information card for entry 8105923

Structure parameters

• Formula: C21 H18 N2 O3 S
• Calculated formula: C21 H18 N2 O3 S
• Title of publication: Crystal structure of 2-(3-methoxyphenyl)-3-((phenylsulfonyl)methyl)imidazo[1,2-a]pyridine, C21H18N2O3S
• Authors of publication: Mi, Xia; Zhong, Zheng; Yang, Jing; Zhang, Jingyu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1017 - 1018
• a: 12.1263 ± 0.0002 Å
• b: 11.6913 ± 0.0003 Å
• c: 12.7643 ± 0.0003 Å
• α: 90°
• β: 92.34 ± 0.002°
• γ: 90°
• Cell volume: 1808.11 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No