Information card for entry 7222463

Structure parameters

• Common name: pf17
• Chemical name: (Z)-1-((4-bromothiophen-2-yl)methylene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione , 1-methylpyrrolidin-2-one
• Formula: C18 H17 Br N2 O4 S
• Calculated formula: C18 H17 Br N2 O4 S
• SMILES: Brc1cc(sc1)/C=C/1OC(=O)c2c1cc([nH]c2=O)C.O=C1N(CCC1)C
• Title of publication: Substituted furopyridinediones as novel inhibitors of α-glucosidase
• Authors of publication: Sen, Subhabrata; Bathula, Chandramohan; Mamidala, Rajanikanth; Tulluri, Chiranjeevi; Agarwal, Rahul; Jha, Kunal Kumar; Munshi, Parthapratim; Adepally, Uma; Singh, Ashutosh; Chary, Maringanti T.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.493 ± 0.0004 Å
• b: 32.9156 ± 0.0016 Å
• c: 7.6917 ± 0.0004 Å
• α: 90°
• β: 104.704 ± 0.002°
• γ: 90°
• Cell volume: 1834.93 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No