Information card for entry 2213710

Structure parameters

• Chemical name: N-(3-Pyridylmethyl)salicylamide
• Formula: C13 H12 N2 O2
• Calculated formula: C13 H12 N2 O2
• SMILES: O=C(NCc1cccnc1)c1c(O)cccc1
• Title of publication: <i>N</i>-(3-Pyridylmethyl)salicylamide
• Authors of publication: Ke-Wei Lei; Jian-Li Lin; Xiao-hui Wen; Yun-Song Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3007 - o3007
• a: 12.218 ± 0.002 Å
• b: 10.928 ± 0.002 Å
• c: 16.757 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2237.4 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No