Information card for entry 2207748

Structure parameters

• Chemical name: 2,6-Diamino-4-(4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile N,N-dimethylformamide solvate
• Formula: C17 H18 N6 O2
• Calculated formula: C17 H18 N6 O2
• SMILES: O(C)c1ccc(cc1)c1c(C#N)c(N)nc(N)c1C#N.O=CN(C)C
• Title of publication: 2,6-Diamino-4-(4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarbonitrile <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Shu-Jiang Tu; Jia-Ning Xu; Jin-Peng Zhang; Xiao-Tong Zhu; Qian Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o64 - o65
• a: 6.958 ± 0.0013 Å
• b: 9.5297 ± 0.0018 Å
• c: 14.695 ± 0.003 Å
• α: 99.9 ± 0.003°
• β: 102.505 ± 0.003°
• γ: 106.527 ± 0.003°
• Cell volume: 883.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes