Information card for entry 2233599

Structure parameters

• Chemical name: <i>N</i>-(2-Ethoxyphenyl)formamide
• Formula: C9 H11 N O2
• Calculated formula: C9 H11 N O2
• SMILES: O(CC)c1c(NC=O)cccc1
• Title of publication: <i>N</i>-(2-Ethoxyphenyl)formamide
• Authors of publication: Rofouei, Mohammad Kazem; Attar Gharamaleki, Jafar; Younesian, Fereshteh; Bruno, Giuseppe; Rudbari, Hadi Amiri
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o505
• a: 7.9079 ± 0.0004 Å
• b: 14.1253 ± 0.0006 Å
• c: 15.9555 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1782.25 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes