Information card for entry 7129194

Structure parameters

• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: N1(C2N(C(=O)c3c2cccc3)CCC1=O)c1ccccc1
• Title of publication: Synthesis of pyrimido[2,1-<i>a</i>]isoindolone and isoindolo[2,1-<i>a</i>]quinazolinone <i>via</i> intramolecular aza-Prins type reaction.
• Authors of publication: Biswas, Subhamoy; Porashar, Bikoshita; Arandhara, Pallav Jyoti; Saikia, Anil K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 88
• Pages of publication: 11701 - 11704
• a: 9.5567 ± 0.0006 Å
• b: 9.7212 ± 0.0006 Å
• c: 15.0352 ± 0.0009 Å
• α: 90°
• β: 93.695 ± 0.002°
• γ: 90°
• Cell volume: 1393.91 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No