Information card for entry 2003785

Structure parameters

• Formula: C13 H16 N4 O3 S
• Calculated formula: C13 H16 N4 O3 S
• SMILES: O=CNc1nc(N(CC)CC)c2c(n1)sc(c2)C(=O)OC
• Title of publication: Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate
• Authors of publication: Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1607 - 1609
• a: 7.214 ± 0.001 Å
• b: 10.513 ± 0.001 Å
• c: 19.459 ± 0.002 Å
• α: 90°
• β: 90.81 ± 0.01°
• γ: 90°
• Cell volume: 1475.7 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.025
• Goodness-of-fit parameter for significantly intense reflections: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No