Information card for entry 7153046

Structure parameters

• Formula: C16 H9 N2 O
• Calculated formula: C16 H9 N2 O
• SMILES: o1c2nc3c(nc2cc1c1ccccc1)cccc3
• Title of publication: Transition metal free hydrolysis/cyclization strategy in a single pot: synthesis of fused furo N-heterocycles of pharmacological interest.
• Authors of publication: Nakhi, Ali; Rahman, Md Shafiqur; Seerapu, Guru Pavan Kumar; Banote, Rakesh Kumar; Kumar, Kummari Lalith; Kulkarni, Pushkar; Haldar, Devyani; Pal, Manojit
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 30
• Pages of publication: 4930 - 4934
• a: 25.558 ± 0.003 Å
• b: 4.5239 ± 0.0005 Å
• c: 23.971 ± 0.003 Å
• α: 90°
• β: 120.647 ± 0.002°
• γ: 90°
• Cell volume: 2384.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No