Information card for entry 2312415

Structure parameters

• Chemical name: (2<i>E</i>)-1-Phenyl-3-(1<i>H</i>-pyrrol-2-yl)propen-1-one
• Formula: C13 H11 N O
• Calculated formula: C13 H11 N O
• Title of publication: Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-1-phenyl-3-(1<i>H</i>-pyrrol-2-yl)propen-1-one.
• Authors of publication: Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Maharramov, Abel M.; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, İbrahim G
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 2
• Pages of publication: 191 - 195
• a: 5.7855 ± 0.0016 Å
• b: 7.3347 ± 0.0019 Å
• c: 12.424 ± 0.003 Å
• α: 106.519 ± 0.008°
• β: 91.912 ± 0.009°
• γ: 92.326 ± 0.009°
• Cell volume: 504.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0732
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No