Information card for entry 7239209

Structure parameters

• Chemical name: '4-(4-ethylphenyl)-2-phenyl-3-thioxo-2,3-dihydro-1H-pyrrolo[3,4-c] quinolin-1-one'
• Formula: C25 H18 N2 O S
• Calculated formula: C25 H18 N2 O S
• Title of publication: One-pot two-component tandem multiple transformations in the synthesis of N,4-diaryl-2,3-dihydropyrrolo[3,4-c]quinolin-1,3-diones and their 3-thioxo-analogues under neat conditions
• Authors of publication: Avula, Sreenivas; Koppireddi, Satish; Komsani, Jayaram Reddy; Nanubolu, Jagadeesh Babu; Yadla, Rambabu
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 43
• Pages of publication: 20990
• a: 4.2876 ± 0.0005 Å
• b: 19.102 ± 0.002 Å
• c: 23.711 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1942 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0912
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.315
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No