Information card for entry 2023006

Structure parameters

• Chemical name: 1-[(<i>E</i>)-2-(2-Fluorophenyl)diazan-1-ylidene]naphthalen-2(1<i>H</i>)-one
• Formula: C16 H11 F N2 O
• Calculated formula: C16 H11 F N2 O
• Title of publication: Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[(<i>E</i>)-2-(2-fluoro-phen-yl)diazan-1-yl-idene]naphthalen-2(1<i>H</i>)-one.
• Authors of publication: Akkache, Hibet Errahmane Meroua; Hamdouni, Noudjoud; Boudjada, Ali; Medjroubi, Mohamed Larbi; Mili, Assia; Jeannin, Olivier
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 2
• Pages of publication: 137 - 142
• a: 23.612 ± 0.003 Å
• b: 7.2392 ± 0.0008 Å
• c: 7.2122 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1232.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes