Information card for entry 7059413

Structure parameters

• Formula: C16 H17 N2 O2
• Calculated formula: C16 H17 N2 O2
• SMILES: O=C1c2n(c(nc2C(=O)c2ccccc12)C)CCCC
• Title of publication: Synthesis and biological activity of imidazole based 1,4-naphthoquinones
• Authors of publication: Choudhari, Dinkar; Salunke-Gawali, Sunita; Chakravarty, Debamitra; Shaikh, Samir R.; Lande, Dipali N.; Gejji, Shridhar P.; Rao, Pradeep Kumar; Satpute, Surekha; Puranik, Vedavati G.; Gonnade, Rajesh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 6889 - 6901
• a: 14.6578 ± 0.0015 Å
• b: 8.7453 ± 0.0011 Å
• c: 22.209 ± 0.004 Å
• α: 90°
• β: 106.46 ± 0.007°
• γ: 90°
• Cell volume: 2730.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No