Information card for entry 7228866

Structure parameters

• Chemical name: N-(4-chlorophenyl)-2-naphthamide
• Formula: C17 H12 Cl N O
• Calculated formula: C17 H12 Cl N O
• SMILES: c1c(ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1
• 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: 5.5994 ± 0.0011 Å
• b: 7.473 ± 0.0015 Å
• c: 15.867 ± 0.003 Å
• α: 88.78 ± 0.03°
• β: 84.12 ± 0.03°
• γ: 84.82 ± 0.03°
• Cell volume: 657.7 ± 0.2 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No