Information card for entry 2200313

Structure parameters

• Formula: C13 H14 N4 O
• Calculated formula: C13 H14 N4 O
• SMILES: N(C(=O)Nc1nc(C)ccc1)c1nc(C)ccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(6-methyl-2-pyridyl)urea
• Authors of publication: Bolte, Michael; Kühl, Christine; Lüning, Ulrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o502 - o504
• a: 7.1142 ± 0.0002 Å
• b: 11.0127 ± 0.0003 Å
• c: 16.463 ± 0.0004 Å
• α: 90°
• β: 90.078 ± 0.001°
• γ: 90°
• Cell volume: 1289.82 ± 0.06 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 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: 0.0441
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No