Information card for entry 7228867

Structure parameters

• Chemical name: N-(3-methoxyphenyl)-2-naphthamide
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: c1c(ccc2ccccc12)C(=O)Nc1cc(OC)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: 9.7762 ± 0.0005 Å
• b: 11.4779 ± 0.0005 Å
• c: 24.3526 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2732.6 ± 0.2 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No