Information card for entry 2206651

Structure parameters

• Chemical name: N-[4-(Pyrrolidin-1-ylcarbonylmethoxy)phenyl]acetamide
• Formula: C14 H18 N2 O3
• Calculated formula: C14 H18 N2 O3
• SMILES: O=C(N1CCCC1)COc1ccc(cc1)NC(=O)C
• Title of publication: <i>N</i>-[4-(Pyrrolidin-1-ylcarbonylmethoxy)phenyl]acetamide
• Authors of publication: Sundar, T. V.; Parthasarathi, V.; Walfort, B.; Lang, H.; Piplani, P.; Malik, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2868 - o2870
• a: 21.08 ± 0.02 Å
• b: 10.927 ± 0.011 Å
• c: 12.767 ± 0.009 Å
• α: 90°
• β: 111.12 ± 0.02°
• γ: 90°
• Cell volume: 2743 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No