Information card for entry 2205834

Structure parameters

• Chemical name: 1-Morpholinomethyl-2-naphthol
• Formula: C15 H17 N O2
• Calculated formula: C15 H17 N O2
• SMILES: N1(Cc2c(O)ccc3c2cccc3)CCOCC1
• Title of publication: 1-Morpholinomethyl-2-naphthol
• Authors of publication: Ma, Shan-Shan; Zhang, Ming-Jie; Yuan, Dong-Yan; Qi, Zhao-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1370 - o1371
• a: 22.162 ± 0.006 Å
• b: 5.8941 ± 0.0017 Å
• c: 9.743 ± 0.003 Å
• α: 90°
• β: 91.12 ± 0.004°
• γ: 90°
• Cell volume: 1272.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes