Information card for entry 2218700

Structure parameters

• Chemical name: N,N'-Bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
• Formula: C12 H16 N2 O4
• Calculated formula: C12 H16 N2 O4
• SMILES: OCCNC(=O)c1ccc(cc1)C(=O)NCCO
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
• Authors of publication: Bednarek, Gabriela; Kusz, Joachim; Ratuszna, Alicja; Ossowski, Jerzy; Sułkowski, Wiesław W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1277
• a: 4.9062 ± 0.0004 Å
• b: 13.6467 ± 0.001 Å
• c: 8.884 ± 0.0007 Å
• α: 90°
• β: 97.262 ± 0.006°
• γ: 90°
• Cell volume: 590.04 ± 0.08 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes