Information card for entry 2008083

Structure parameters

• Chemical name: 4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-ethylene dinitrilodimethylidyne)diphenol
• Formula: C28 H38 N4 O4
• Calculated formula: C28 H38 N4 O4
• SMILES: Cc1cc(/C=N/CC/N=C/c2cc(C)cc(c2O)CN2CCOCC2)c(c(c1)CN1CCOCC1)O
• Title of publication: 2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)
• Authors of publication: S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 94 - 97
• a: 11.1356 ± 0.0005 Å
• b: 9.5825 ± 0.0005 Å
• c: 12.4721 ± 0.0006 Å
• α: 90°
• β: 98.828 ± 0.002°
• γ: 90°
• Cell volume: 1315.09 ± 0.11 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: 0.1268
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections: 0.1749
• Weighted residual factors for significantly intense reflections: 0.1392
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes