Information card for entry 8106848

Structure parameters

• Formula: C16 H19 N3 O
• Calculated formula: C16 H19 N3 O
• SMILES: O=C(NN=C1C2CC3CC1CC(C2)C3)c1ccncc1
• Title of publication: Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C16H19N3O
• Authors of publication: Al-Abdullah, Ebtehal S.; Ghabbour, Hazem A.; Al-Jabal, Maher M.; Fun, Hoong-Kun; El-Emam, Ali A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 273 - 275
• a: 8.0251 ± 0.0007 Å
• b: 10.1627 ± 0.0009 Å
• c: 17.0686 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1392.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No