Information card for entry 7059418

Structure parameters

• Common name: naphthoquinones
• Formula: C13 H12 N2 O3
• Calculated formula: C13 H12 N2 O3
• SMILES: O=C1C(=C(NC(=O)C)C(=O)c2ccccc12)NC
• 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: 7.8552 ± 0.0006 Å
• b: 13.2661 ± 0.0011 Å
• c: 21.1966 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2208.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No