Information card for entry 2009014

Structure parameters

• Chemical name: S-methyl N-benzoyl-3-(N-methyl-N-phenylamino)-2-nitro-3- (phenylamino)thioacrylimidate
• Formula: C24 H22 N4 O3 S
• Calculated formula: C24 H22 N4 O3 S
• SMILES: S(C(C(N(=O)=O)=C(N(C)c1ccccc1)Nc1ccccc1)=NC(=O)c1ccccc1)C
• Title of publication: `Push‒pull' effects in nitroethenamines
• Authors of publication: Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1692 - 1698
• a: 11.922 ± 0.003 Å
• b: 17.628 ± 0.003 Å
• c: 10.442 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2194.5 ± 0.9 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes