Information card for entry 2217113

Structure parameters

• Chemical name: N,N'-Di-p-tolylethylenediamine
• Formula: C16 H20 N2
• Calculated formula: C16 H20 N2
• SMILES: N(c1ccc(C)cc1)CCNc1ccc(cc1)C
• Title of publication: <i>N</i>,<i>N</i>'-Di-<i>p</i>-tolylethylenediamine
• Authors of publication: Wen-Wen Tian; Jia-Ying Xu; Zhi-Qiang Feng; Su-Lan Dong; Jin-Tang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o135 - o135
• a: 8.907 ± 0.0018 Å
• b: 25.252 ± 0.005 Å
• c: 12.287 ± 0.003 Å
• α: 90°
• β: 90.3 ± 0.03°
• γ: 90°
• Cell volume: 2763.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1683
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes