Information card for entry 2207589

Structure parameters

• Chemical name: (E)-2-[(2-morpholinoethylimino)methyl]phenol
• Formula: C13 H18 N2 O2
• Calculated formula: C13 H18 N2 O2
• SMILES: c1(ccccc1/C=N/CCN1CCOCC1)O
• Title of publication: (<i>E</i>)-2-[(2-Morpholinoethylimino)methyl]phenol
• Authors of publication: Petek, Hande; Albayrak, Çiğdem; Nazan Ocak İskeleli; Ağar, Erbil; Şenel, İsmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o3990 - o3991
• a: 5.8324 ± 0.0004 Å
• b: 9.1911 ± 0.0006 Å
• c: 23.042 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1235.19 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes