Information card for entry 2017510

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide
• Formula: C28 H34 N4 O2
• Calculated formula: C28 H34 N4 O2
• SMILES: c1(ccc(cc1)C(=O)Nc1ccc(cc1)N(CC)CC)C(=O)Nc1ccc(cc1)N(CC)CC
• Title of publication: Two concomitant polymorphs of <i>N</i>,<i>N</i>'-bis[4-(diethylamino)phenyl]terephthaldiamide
• Authors of publication: Kuś, Piotr; Borek, Jerzy; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o93 - o96
• a: 11.5899 ± 0.0006 Å
• b: 16.7899 ± 0.0008 Å
• c: 13.4785 ± 0.0008 Å
• α: 90°
• β: 114.667 ± 0.006°
• γ: 90°
• Cell volume: 2383.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes