Information card for entry 4504541

Structure parameters

• Formula: C20 H26 N4 O2
• Calculated formula: C20 H26 N4 O2
• SMILES: c1(ccncc1)C(=O)NCCCCCCCCNC(=O)c1ccncc1
• Title of publication: Amide-to-Amide Hydrogen Bonds in the Presence of a Pyridine Functionality: Crystal Structures of Bis(pyridinecarboxamido)alkanes
• Authors of publication: Sarkar, Madhushree; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 202
• a: 5.113 ± 0.001 Å
• b: 5.323 ± 0.0011 Å
• c: 33.792 ± 0.007 Å
• α: 90°
• β: 92.36 ± 0.03°
• γ: 90°
• Cell volume: 918.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0611
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No