Information card for entry 2235430

Structure parameters

• Chemical name: (4-Fluorophenyl)(1<i>H</i>-pyrrol-2-yl)methanone
• Formula: C11 H8 F N O
• Calculated formula: C11 H8 F N O
• SMILES: [nH]1c(ccc1)C(=O)c1ccc(cc1)F
• Title of publication: (4-Fluorophenyl)(1<i>H</i>-pyrrol-2-yl)methanone
• Authors of publication: Prakash, V.; Kapoor, Kamini; Shet Prakash, M.; Gupta, Vivek K.; Kant, Rajni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2073
• a: 3.8957 ± 0.0002 Å
• b: 10.7053 ± 0.0005 Å
• c: 11.1421 ± 0.0006 Å
• α: 99.167 ± 0.004°
• β: 95.951 ± 0.004°
• γ: 98.699 ± 0.004°
• Cell volume: 449.56 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes