Information card for entry 2236510

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Dicyclohexyl-4-nitrobenzamide
• Formula: C19 H26 N2 O3
• Calculated formula: C19 H26 N2 O3
• SMILES: O=N(=O)c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1
• Title of publication: <i>N</i>,<i>N</i>-Dicyclohexyl-4-nitrobenzamide
• Authors of publication: Saeed, Sohail; Rashid, Naghmana; Butcher, Ray J.; Öztürk Yildirim, Sema; Hussain, Rizwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2762
• a: 6.1874 ± 0.0003 Å
• b: 10.7109 ± 0.0004 Å
• c: 26.8188 ± 0.0011 Å
• α: 79.128 ± 0.004°
• β: 89.027 ± 0.004°
• γ: 82.883 ± 0.003°
• Cell volume: 1731.97 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes