Information card for entry 2205933

Structure parameters

• Chemical name: 2-[(2-chloro-3,4-dimethoxybenzylidene)amino]adamantane
• Formula: C19 H24 Cl N O2
• Calculated formula: C19 H24 Cl N O2
• SMILES: COc1c(c(ccc1OC)/C=N/C1C2CC3CC(CC1C3)C2)Cl
• Title of publication: 2-[(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: o1853 - o1854
• a: 14.2591 ± 0.0011 Å
• b: 9.9334 ± 0.0005 Å
• c: 12.7325 ± 0.001 Å
• α: 90°
• β: 107.61 ± 0.006°
• γ: 90°
• Cell volume: 1718.9 ± 0.2 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: 0.0557
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No