Information card for entry 2010280

Structure parameters

• Formula: C16 H23 Cl N2 O3
• Calculated formula: C16 H23 Cl N2 O3
• SMILES: Clc1cc(CN2CCOCC2)c(c(c1)CN1CCOCC1)O
• Title of publication: 4-Chloro-2,6-bis(morpholinomethyl)phenol
• Authors of publication: Shanmuga Sundara Raj, S.; Velmurugan, D.; Subramanian, E.; Kandaswamy, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2009 - 2010
• a: 10.798 ± 0.002 Å
• b: 10.771 ± 0.003 Å
• c: 14.235 ± 0.004 Å
• α: 90°
• β: 94.65 ± 0.02°
• γ: 90°
• Cell volume: 1650.2 ± 0.7 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for significantly intense reflections: 0.73
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No