Information card for entry 2209452

Structure parameters

• Chemical name: 2-amino-5,6,7,8-tetrahydro-4-p-tolylnaphthalene-1,3-dicarbonitrile
• Formula: C19 H17 N3
• Calculated formula: C19 H17 N3
• SMILES: N#Cc1c(c2ccc(cc2)C)c2CCCCc2c(c1N)C#N
• Title of publication: 2-Amino-5,6,7,8-tetrahydro-4-<i>p</i>-tolylnaphthalene-1,3-dicarbonitrile
• Authors of publication: Liang-Ce Rong; Xiao-Yue Li; Hai-Ying Wang; Chang-Sheng Yao; Da-Qing Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3004 - o3006
• a: 22.837 ± 0.006 Å
• b: 7.906 ± 0.002 Å
• c: 17.92 ± 0.004 Å
• α: 90°
• β: 105.955 ± 0.005°
• γ: 90°
• Cell volume: 3110.8 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1233
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes