Information card for entry 2241591

Structure parameters

• Chemical name: (<i>E</i>)-9-(4-Nitrobenzylidene)-8,9-dihydropyrido[2,3-<i>d</i>]pyrrolo[1,2-<i>a</i>]pyrimidin-5(7<i>H</i>)-one
• Formula: C17 H12 N4 O3
• Calculated formula: C17 H12 N4 O3
• SMILES: O=c1n2c(nc3ncccc13)C(=C\c1ccc(N(=O)=O)cc1)\CC2
• Title of publication: Crystal structure of (<i>E</i>)-9-(4-nitrobenzylidene)-8,9-dihydropyrido[2,3-<i>d</i>]pyrrolo[1,2-<i>a</i>]pyrimidin-5(7<i>H</i>)-one
• Authors of publication: Khodjaniyazov, Khamid U.; Ashurov, Jamshid M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 452 - 455
• a: 7.1755 ± 0.0003 Å
• b: 11.5855 ± 0.0003 Å
• c: 17.2515 ± 0.0005 Å
• α: 90°
• β: 90.36 ± 0.003°
• γ: 90°
• Cell volume: 1434.12 ± 0.08 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: 0.076
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes