Information card for entry 2007304

Structure parameters

• Chemical name: 5-Amino-8-cyano-2,4-diphenyl-7-(pyrrolidin-1yl)-1,6-naphthyridine
• Formula: C25 H21 N5
• Calculated formula: C25 H21 N5
• SMILES: N#Cc1c(nc(c2c1nc(cc2c1ccccc1)c1ccccc1)N)N1CCCC1
• Title of publication: 5-Amino-2,4-diphenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Periyasamy Murugan; Vayalakkavoor T.Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 781 - 783
• a: 9.0996 ± 0.0007 Å
• b: 10.9985 ± 0.0009 Å
• c: 11.3214 ± 0.0008 Å
• α: 98.956 ± 0.007°
• β: 109.026 ± 0.006°
• γ: 103.602 ± 0.006°
• Cell volume: 1007.29 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.1341
• Weighted residual factors for significantly intense reflections: 0.1207
• Goodness-of-fit parameter for all reflections: 0.938
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No