Information card for entry 8101742

Structure parameters

• Common name: N-4-chloro-benzaldene-1-aminoadamantane
• Chemical name: N-(4-chlorobenzylidene)-1-adamantylamine
• Formula: C17 H20 Cl N
• Calculated formula: C17 H20 Cl N
• SMILES: Clc1ccc(cc1)/C=N/C12CC3CC(CC(C1)C3)C2
• Title of publication: Crystal structure of N-(4-chlorobenzylidene)-1-adamantylamine, C~17~H~20~ClN, a Schiff base
• Authors of publication: Zhao, G.-L.; Feng, Y.-L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 197 - 198
• a: 27.444 ± 0.006 Å
• b: 6.5791 ± 0.0013 Å
• c: 16.574 ± 0.003 Å
• α: 90°
• β: 106.89 ± 0.03°
• γ: 90°
• Cell volume: 2863.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No