Information card for entry 2218745

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-bis(5-methylsalicylidene)-1,5-diamino-3-azapentane
• Chemical name: 4,4'-Dimethyl-2,2'-[(3-azapentane-1,5-diyl)bis(nitrilomethylidyne)]diphenol
• Formula: C20 H25 N3 O2
• Calculated formula: C20 H25 N3 O2
• SMILES: Oc1ccc(cc1/C=N/CCNCC/N=C/c1cc(C)ccc1O)C
• Title of publication: 4,4'-Dimethyl-2,2'-[(3-azapentane-1,5-diyl)bis(nitrilomethylidyne)]diphenol
• Authors of publication: Dang, Fang-Fang; Wang, Xin-Wei; Yang, Qing-Cui; Han, Guo-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1352
• a: 9.132 ± 0.004 Å
• b: 5.834 ± 0.003 Å
• c: 34.365 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1830.8 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes