Information card for entry 2224900

Structure parameters

• Chemical name: Ethyl 4-(dimethylamino)benzoate
• Formula: C11 H15 N O2
• Calculated formula: C11 H15 N O2
• SMILES: O(C(=O)c1ccc(N(C)C)cc1)CC
• Title of publication: Ethyl 4-(dimethylamino)benzoate
• Authors of publication: Sundar, J. Kalyana; Natarajan, V.; Arivanandhan, M.; Hayakawa, Y.; Natarajan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o355
• a: 12.6949 ± 0.0008 Å
• b: 6.6596 ± 0.0004 Å
• c: 12.8529 ± 0.0009 Å
• α: 90°
• β: 98.672 ± 0.011°
• γ: 90°
• Cell volume: 1074.2 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes