Information card for entry 8101267

Structure parameters

• Formula: C19 H18 Cl N O4 S
• Calculated formula: C19 H18 Cl N O4 S
• SMILES: s1c2NC(=C(C(=O)OC)C(c3c(Cl)cccc3)c2cc1C(=O)OCC)C
• Title of publication: Crystal structure of 2-carbonylethoxy-5-carbonylmethoxy-4-(2-chloro- phenyl)-6-methyl-4,7-dihydrothiene-[2,3-b]pyridine, C~19~H~18~NO~4~SCl
• Authors of publication: Duque, Julio; Pomés, Ramón; Suárez Margarita; Ochoa, Estael; Verdecia, Yamila; Punte, Graciela; Echevarría, Gustavo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 3
• Pages of publication: 361 - 362
• a: 15.51 ± 0.003 Å
• b: 9.213 ± 0.002 Å
• c: 12.888 ± 0.003 Å
• α: 90 ± 0°
• β: 96.52 ± 0.03°
• γ: 90 ± 0°
• Cell volume: 1829.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No