Information card for entry 1545033

Structure parameters

• Chemical name: 1-Cyclohexyl-5-(2-hydroxycyclohexanecarbonyl)-3-nitropyridin-2(1H)-one
• Formula: C18 H18 N2 O5
• Calculated formula: C18 H18 N2 O5
• SMILES: O=N(=O)c1c(=O)n(cc(c1)C(=O)c1ccccc1O)C1CCCCC1
• Title of publication: 1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1<i>H</i>)-one
• Authors of publication: Ranjani, T. Siva; Poomathi, N.; Vimala, G.; Perumal, Paramasivam T.; Murugesan, K. Sakthi
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x170004
• a: 10.1622 ± 0.0006 Å
• b: 19.1448 ± 0.0008 Å
• c: 8.4373 ± 0.0005 Å
• α: 90°
• β: 102.425 ± 0.003°
• γ: 90°
• Cell volume: 1603.06 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes