Information card for entry 2232612

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-bis(pyridin-2-yl)methanediamine
• Formula: C13 H16 N4
• Calculated formula: C13 H16 N4
• SMILES: n1ccccc1N(C)CN(C)c1ncccc1
• Title of publication: <i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-bis(pyridin-2-yl)methanediamine
• Authors of publication: Lee, Moon-Sun; Yoon, Minyoung; Yang, O-bong; Lee, Dong-Heon; Park, Gyungse
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3226
• a: 11.6652 ± 0.0007 Å
• b: 8.3921 ± 0.0005 Å
• c: 12.8966 ± 0.0007 Å
• α: 90°
• β: 106.634 ± 0.002°
• γ: 90°
• Cell volume: 1209.69 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes