Information card for entry 2311196

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(Morpholin-4-ylimino)methyl]-6-(morpholin-4-ylmethyl)phenol
• Formula: C16 H23 N3 O3
• Calculated formula: C16 H23 N3 O3
• SMILES: O1CCN(CC1)Cc1c(O)c(ccc1)/C=N/N1CCOCC1
• Title of publication: 2-[(E)-(Morpholin-4-yl-imino)-meth-yl]-6-(morpholin-4-ylmeth-yl)phenol.
• Authors of publication: Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Aberi, Mahdi; Büyükgüngör, Orhan
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 10
• Pages of publication: o1571
• a: 9.0074 ± 0.0006 Å
• b: 15.7781 ± 0.0014 Å
• c: 11.3083 ± 0.0007 Å
• α: 90°
• β: 99.052 ± 0.005°
• γ: 90°
• Cell volume: 1587.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1146
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No