Information card for entry 7228865

Structure parameters

• Chemical name: N-phenyl-2-naphthamide
• Formula: C17 H13 N O
• Calculated formula: C17 H13 N O
• SMILES: c1c(ccc2ccccc12)C(=O)Nc1ccccc1
• Title of publication: Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.
• Authors of publication: shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 28.7372 ± 0.0016 Å
• b: 5.4797 ± 0.0003 Å
• c: 7.8381 ± 0.0005 Å
• α: 90°
• β: 104.767 ± 0.003°
• γ: 90°
• Cell volume: 1193.51 ± 0.12 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No