Information card for entry 2202187

Structure parameters

• Chemical name: Ethyl N-(2-butyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbamate
• Formula: C15 H18 N2 O4
• Calculated formula: C15 H18 N2 O4
• SMILES: CCCCN1C(=O)c2c(C1=O)ccc(c2)NC(=O)OCC
• Title of publication: Ethyl <i>N</i>-(2-butyl-1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindol-5-yl)carbamate
• Authors of publication: Shi, Da-Xin; Feng, Ya-Qing; Li, Xiao-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o739 - o741
• a: 6.933 ± 0.002 Å
• b: 14.21 ± 0.004 Å
• c: 15.913 ± 0.005 Å
• α: 99.657 ± 0.006°
• β: 101.373 ± 0.006°
• γ: 91.12 ± 0.006°
• Cell volume: 1512.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.151
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes