Information card for entry 7228864

Structure parameters

• Chemical name: N-(3-methylphenyl)-2-naphthamide
• Formula: C18 H15 N O
• Calculated formula: C18 H15 N O
• SMILES: c1c(ccc2ccccc12)C(=O)Nc1cc(C)ccc1
• 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: 26.362 ± 0.002 Å
• b: 5.8842 ± 0.0005 Å
• c: 8.6253 ± 0.0007 Å
• α: 90°
• β: 92.291 ± 0.005°
• γ: 90°
• Cell volume: 1336.88 ± 0.19 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No