Information card for entry 1552480

Structure parameters

• Chemical name: 4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile
• Formula: C16 H20 N4
• Calculated formula: C16 H20 N4
• Title of publication: 4-Amino-5-{[cyclohexyl(methyl)amino]methyl}isophthalonitrile
• Authors of publication: Sharif, Muhammad; Razzaq, Rauf; Jackstell, Ralf; Spannenberg, Anke
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 10
• Pages of publication: x191369
• a: 8.7319 ± 0.0004 Å
• b: 11.3091 ± 0.0005 Å
• c: 16.122 ± 0.0007 Å
• α: 69.599 ± 0.003°
• β: 77.168 ± 0.004°
• γ: 81.042 ± 0.004°
• Cell volume: 1449.57 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes