Information card for entry 2238207

Structure parameters

• Chemical name: 4-(4-Nitrobenzyl)pyridine
• Formula: C12 H10 N2 O2
• Calculated formula: C12 H10 N2 O2
• SMILES: N(=O)(=O)c1ccc(cc1)Cc1ccncc1
• Title of publication: 4-(4-Nitrobenzyl)pyridine
• Authors of publication: Taher, Deeb; Awwadi, Firas F.; Kailani, Mohammed H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1164
• a: 11.4138 ± 0.0009 Å
• b: 6.1241 ± 0.0005 Å
• c: 15.5812 ± 0.0013 Å
• α: 90°
• β: 104.561 ± 0.009°
• γ: 90°
• Cell volume: 1054.13 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes