Information card for entry 8107573

Structure parameters

• Formula: C18 H21 F N2 O
• Calculated formula: C18 H21 F N2 O
• SMILES: Fc1ccc(cc1)/C=N/NC(=O)C12CC3CC(C1)CC(C2)C3
• Title of publication: N′-[(1E)-(4–Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C18H21FN2O
• Authors of publication: Al-Wahaibi, Lamya H.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago; Reiss, Guido J.; Tiekink, Edward R. T.; El-Emam, Ali A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 821 - 825
• a: 10.6377 ± 0.0005 Å
• b: 14.4869 ± 0.0007 Å
• c: 21.0557 ± 0.0013 Å
• α: 98.583 ± 0.005°
• β: 91.979 ± 0.004°
• γ: 90.101 ± 0.004°
• Cell volume: 3206.5 ± 0.3 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1715
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No