Information card for entry 2012369

Structure parameters

• Formula: C14 H17 N O4 S
• Calculated formula: C14 H17 N O4 S
• SMILES: S1(CC(=O)N2CCc3cc(c(cc3C12C)OC)OC)=O
• Title of publication: Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides
• Authors of publication: Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2001
• Journal volume: 57
• Pages of publication: 1454 - 1456
• a: 15.9407 ± 0.0015 Å
• b: 9.1737 ± 0.001 Å
• c: 19.015 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2780.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Duplicate of: 1200001
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No