Information card for entry 2234508

Structure parameters

• Chemical name: (4-Butoxyphenyl)(1<i>H</i>-pyrrol-2-yl)methanone
• Formula: C15 H17 N O2
• Calculated formula: C15 H17 N O2
• Title of publication: (4-Butoxyphenyl)(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: 5
• Pages of publication: o1521
• a: 9.4779 ± 0.0004 Å
• b: 11.4478 ± 0.0005 Å
• c: 13.1117 ± 0.0007 Å
• α: 95.155 ± 0.004°
• β: 104.118 ± 0.004°
• γ: 94.626 ± 0.003°
• Cell volume: 1366.31 ± 0.11 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: 0.0942
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes