Information card for entry 7226376

Structure parameters

• Common name: thieno[3,2-c]pyridine
• Chemical name: Methyl 3,5-diamino-6-(2-methoxyphenyl)-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-2-carboxylate
• Formula: C16 H15 N3 O4 S
• Calculated formula: C16 H15 N3 O4 S
• SMILES: s1c2c(c(N)c1C(=O)OC)c(=O)n(N)c(c1c(OC)cccc1)c2
• Title of publication: One-pot and step-wise synthesis of thieno[3,2-c]pyridin-4-ones
• Authors of publication: Pratap, Ramendra; Sahu, Satya Narayan; Singh, Surjeet; Shaw, Ranjay; Shally, Shally; Ram, Vishnu Ji
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.6062 ± 0.0006 Å
• b: 18.6702 ± 0.0006 Å
• c: 7.555 ± 0.0003 Å
• α: 90°
• β: 107.089 ± 0.005°
• γ: 90°
• Cell volume: 1564.81 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No