Information card for entry 7238887

Structure parameters

• Common name: (Z)-1,4-diphenyl-2-(4-toluidino)-2-butane-1,4-dione
• Chemical name: (Z)-1,4-diphenyl-2-(4-toluidino)-2-butane-1,4-dione
• Formula: C23 H19 N O2
• Calculated formula: C23 H19 N O2
• Title of publication: Reactions of diphenacylaniline and diphenacyl sulfide under Gewald conditions: generation of enamines and thioamides
• Authors of publication: Paul, Nidhin; Sathishkumar, Ramalingam; Anuba, Chellathurai; Muthusubramanian, Shanmugam
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 20
• Pages of publication: 7445
• a: 10.0504 ± 0.0007 Å
• b: 8.675 ± 0.0007 Å
• c: 21.42 ± 0.0012 Å
• α: 90°
• β: 103.066 ± 0.006°
• γ: 90°
• Cell volume: 1819.2 ± 0.2 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: 0.0695
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No