Information card for entry 2008919

Structure parameters

• Chemical name: Intramolecular N-H...π(Phenyl) and Intermolecular C-H...π(Phenyl) Interaction in 5-Amino-8-cyano-2-phenyl-4(4-methoxy-phenyl-7- (piperidine-1-yl)-1,6-Naphthyridine
• Formula: C30 H28 N5 O
• Calculated formula: C30 H28 N5 O
• SMILES: n1c(cc(c2c(nc(c(c12)C#N)N1CCCCC1)N)c1ccc(cc1)OC)c1ccccc1.c1ccccc1
• Title of publication: Intramolecular N—H···π(phenyl) and intermolecular C—H···π(phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile‒benzene(2/1)
• Authors of publication: R. Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; V. Raghukumar; V.T. Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1522 - 1524
• a: 9.6477 ± 0.0001 Å
• b: 14.9004 ± 0.0002 Å
• c: 18.0803 ± 0.0003 Å
• α: 75.92 ± 0.001°
• β: 84.206 ± 0.001°
• γ: 75.546 ± 0.001°
• Cell volume: 2439.01 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1044
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes