Information card for entry 2221627

Structure parameters

• Chemical name: 2,4-Diphenyl-4,5-dihydro-3<i>H</i>-pyrido[2,3-b][1,4]diazepine
• Formula: C20 H17 N3
• Calculated formula: C20 H17 N3
• SMILES: c1ccc(cc1)C1CC(=Nc2c(N1)nccc2)c1ccccc1
• Title of publication: 2,4-Diphenyl-4,5-dihydro-3<i>H</i>-pyrido[2,3-<i>b</i>][1,4]diazepine
• Authors of publication: Fun, Hoong-Kun; Yeap, Chin Sing; Hazra, Anita; Jana, Subrata; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1139 - o1140
• a: 5.9969 ± 0.0003 Å
• b: 15.3186 ± 0.0006 Å
• c: 17.0676 ± 0.0007 Å
• α: 82.588 ± 0.003°
• β: 85.266 ± 0.002°
• γ: 88.67 ± 0.002°
• Cell volume: 1549.37 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0886
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes