Information card for entry 2211919

Structure parameters

• Chemical name: N-[5-(1-Naphthyl)pyrimidin-4-yl]acetamide oxime
• Formula: C16 H14 N4 O
• Calculated formula: C16 H14 N4 O
• SMILES: O/N=C(Nc1ncncc1c1cccc2ccccc12)/C
• Title of publication: <i>N</i>-[5-(1-Naphthyl)pyrimidin-4-yl]acetamide oxime
• Authors of publication: Okuda, Kensuke; Watanabe, Hiromi; Hirota, Takashi; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o195 - o196
• a: 10.8011 ± 0.0006 Å
• b: 11.6051 ± 0.0006 Å
• c: 12.8489 ± 0.0008 Å
• α: 63.3951 ± 0.0016°
• β: 76.8282 ± 0.0016°
• γ: 89.5278 ± 0.0019°
• Cell volume: 1394 ± 0.14 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes