Information card for entry 2229434

Structure parameters

• Chemical name: (<i>Z</i>)-3-(Benzylcarbamoyl)prop-2-enoic acid
• Formula: C11 H11 N O3
• Calculated formula: C11 H11 N O3
• SMILES: N(Cc1ccccc1)C(=O)/C=C\C(=O)O
• Title of publication: (<i>Z</i>)-3-(Benzylcarbamoyl)prop-2-enoic acid
• Authors of publication: Dong, Su-Lan; Cheng, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o689
• a: 10.651 ± 0.002 Å
• b: 12.601 ± 0.003 Å
• c: 8.313 ± 0.0017 Å
• α: 90°
• β: 108.44 ± 0.03°
• γ: 90°
• Cell volume: 1058.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes