Information card for entry 2204565

Structure parameters

• Chemical name: N,N'-Di-2-pyridylmethylenediamine
• Formula: C11 H12 N4
• Calculated formula: C11 H12 N4
• SMILES: n1ccccc1NCNc1ncccc1
• Title of publication: <i>N</i>,<i>N</i>'-Di-2-pyridylmethylenediamine
• Authors of publication: Wu, Hui; Zhou, Jun; Yu, Hui-Zhen; Lu, Lei-Lei; Xu, Zhou; Yu, Kai-Bei; Shi, Da-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2085 - o2086
• a: 17.96 ± 0.004 Å
• b: 5.723 ± 0.001 Å
• c: 20.419 ± 0.004 Å
• α: 90°
• β: 99.72 ± 0.02°
• γ: 90°
• Cell volume: 2068.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes