Information card for entry 8105605

Structure parameters

• Formula: C11 H16 N2 O2
• Calculated formula: C11 H16 N2 O2
• SMILES: O(C(=O)c1ccc(N)cc1)CCN(C)C
• Title of publication: Crystal structure of 2-(dimethylamino)ethyl 4-aminobenzoate, C11H16N2O2
• Authors of publication: Li, Linglan; Liu, Hui; Wu, Zhongjun; Miao, Junfeng; Zhang, Shu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 245 - 246
• a: 6.1516 ± 0.001 Å
• b: 13.711 ± 0.002 Å
• c: 13.7392 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1158.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No