Information card for entry 2007745

Structure parameters

• Formula: C15 H13 N3 O
• Calculated formula: C15 H13 N3 O
• SMILES: O/N=C(c1ccc2c(c1)cccc2)\Cn1cncc1
• Title of publication: 2-(Imidazol-1-yl)-1-(2-naphthyl)ethanone Oxime
• Authors of publication: Kendi, Engin; Özbey, Süheyla; Karakurt, Arzu; Dalkara, Sevim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1513 - 1515
• a: 11.301 ± 0.002 Å
• b: 8.665 ± 0.001 Å
• c: 13.422 ± 0.001 Å
• α: 90°
• β: 107.77 ± 0.01°
• γ: 90°
• Cell volume: 1251.6 ± 0.3 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0529
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No