Information card for entry 7153746

Structure parameters

• Formula: C23 H21 N3 O2 S0
• Calculated formula: C23 H21 N3 O2
• SMILES: O=C(c1c(N2CCCC2)c(c2c(c1N)cccc2)C#N)c1ccc(OC)cc1
• Title of publication: Synthesis of 1-amino-2-aroyl/acetylnaphthalenes through a base mediated one pot inter and intramolecular C-C bond formation strategy.
• Authors of publication: Singh, Surjeet; Yadav, Pratik; Sahu, Satya Narayan; Althagafi, Ismail; Kumar, Abhinav; Kumar, Brijesh; Ram, Vishnu Ji; Pratap, Ramendra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 26
• Pages of publication: 4730 - 4737
• a: 9.094 ± 0.005 Å
• b: 13.65 ± 0.005 Å
• c: 16.253 ± 0.005 Å
• α: 80.99 ± 0.03°
• β: 85.1 ± 0.03°
• γ: 72.87 ± 0.04°
• Cell volume: 1902.6 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1815
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No