Information card for entry 8105500

Structure parameters

• Formula: C12 H15 N O4
• Calculated formula: C12 H15 N O4
• SMILES: OC(=O)CCCC(=O)Nc1ccccc1OC
• Title of publication: Crystal structure of 4-[(2-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4
• Authors of publication: Hanifa, Bibi; Sirajuddin, Muhammad; Khan, Hizbullah; Lo, Kong Mun; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1481 - 1483
• a: 7.4325 ± 0.0003 Å
• b: 7.5171 ± 0.0003 Å
• c: 23.7377 ± 0.0009 Å
• α: 87.78 ± 0.003°
• β: 89.105 ± 0.003°
• γ: 61.299 ± 0.004°
• Cell volume: 1162.42 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No