Information card for entry 8107285

Structure parameters

• Chemical name: 3-((4-chloro-N-(2-methoxyethyl)benzamido)methyl)phenyl methanesulfonate
• Formula: C18 H20 Cl N O5 S
• Calculated formula: C18 H20 Cl N O5 S
• Title of publication: The crystal structure of 3-((4-chloro-N-(2-methoxyethyl)benzamido)methyl)phenyl methanesulfonate, C18H20ClNO5S
• Authors of publication: Li, Yong; Wu, Yundeng; Wang, Jingjing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1033 - 1036
• a: 5.671 ± 0.004 Å
• b: 18.225 ± 0.013 Å
• c: 17.99 ± 0.02 Å
• α: 90°
• β: 90.18 ± 0.04°
• γ: 90°
• Cell volume: 1859 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No