Information card for entry 2300660

Structure parameters

• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• SMILES: O=C(c1ccccc1)NCc1ccc(cc1)C
• Title of publication: An insight into the synthesis, crystal structure, geometrical modelling of crystal morphology, Hirshfeld surface analysis and characterization ofN-(4-methylbenzyl)benzamide single crystals
• Authors of publication: Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Rao, Devarapalli Chenna; Gopalaiah, Kovuru; Kumar, Binay
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 1498
• a: 9.5277 ± 0.0008 Å
• b: 11.1555 ± 0.0011 Å
• c: 11.7848 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1252.56 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1902
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No