Information card for entry 2204194

Structure parameters

• Chemical name: Dimethyl N,N'-(1,2-phenylene)dicarbamate
• Formula: C10 H12 N2 O4
• Calculated formula: C10 H12 N2 O4
• SMILES: O=C(OC)Nc1c(NC(=O)OC)cccc1
• Title of publication: Dimethyl <i>N,N</i>'-(1,2-phenylene)dicarbamate
• Authors of publication: Efrén V. García-Báez; Beatriz A. López-Romero; Francisco J. Martínez-Martínez; Herbert Höpfl; Itzia I. Padilla-Martínez
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1488 - o1490
• a: 9.3056 ± 0.0019 Å
• b: 4.84 ± 0.001 Å
• c: 11.843 ± 0.002 Å
• α: 90°
• β: 100.181 ± 0.003°
• γ: 90°
• Cell volume: 525 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes