Information card for entry 2205932

Structure parameters

• Chemical name: 1-[(2-chloro-3,4-dimethoxybenzylidene)amino]adamantane
• Formula: C19 H24 Cl N O2
• Calculated formula: C19 H24 Cl N O2
• SMILES: Clc1c(OC)c(OC)ccc1/C=N/C12CC3CC(C1)CC(C2)C3
• Title of publication: 1-[(2-Chloro-3,4-dimethoxybenzylidene)amino]adamantane
• Authors of publication: Şamil Işık; Yavuz Köysal; Ebubekir Septiog̃lu; Ünsal Çalış
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1851 - o1852
• a: 13.939 ± 0.005 Å
• b: 6.878 ± 0.005 Å
• c: 19.533 ± 0.004 Å
• α: 90°
• β: 114.279 ± 0.017°
• γ: 90°
• Cell volume: 1707 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No