Information card for entry 2023065

Structure parameters

• Chemical name: 2-Phenyl-3-(prop-2-yn-1-yloxy)quinoxaline
• Formula: C17 H12 N2 O
• Calculated formula: C17 H12 N2 O
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of 2-phenyl-3-(prop-2-yn-1-yl-oxy)quin-oxaline.
• Authors of publication: Abad, Nadeem; Mague, Joel T.; Alsubari, Abdulsalam; Essassi, El Mokhtar; Pourayoubi, Mehrdad; Yahya Abdullah Alzahrani, Abdullah; Ramli, Youssef
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 4
• Pages of publication: 383 - 387
• a: 8.4614 ± 0.0014 Å
• b: 9.0947 ± 0.0015 Å
• c: 9.536 ± 0.0016 Å
• α: 87.739 ± 0.002°
• β: 72.963 ± 0.002°
• γ: 69.028 ± 0.002°
• Cell volume: 653.39 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No