Information card for entry 2017509

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: CCN(c1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)N(CC)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: 5.11 ± 0.0009 Å
• b: 9.946 ± 0.003 Å
• c: 12.107 ± 0.003 Å
• α: 100.54 ± 0.02°
• β: 93.9 ± 0.02°
• γ: 103.53 ± 0.02°
• Cell volume: 584.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes