Information card for entry 2008198

Structure parameters

• Chemical name: 3-(3-indolyl)acrylamide
• Formula: C11 H10 N2 O
• Calculated formula: C11 H10 N2 O
• SMILES: [nH]1cc(c2ccccc12)/C=C/C(=O)N
• Title of publication: 3-(3-Indolyl)acrylamide
• Authors of publication: Leopoldo Suescun; Raúl A. Mariezcurrena; Alvaro W. Mombrú; Danilo Davyt; Eduardo Manta
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 211 - 213
• a: 14.283 ± 0.002 Å
• b: 17.083 ± 0.004 Å
• c: 7.723 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1884.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.159
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No