Information card for entry 2206618

Structure parameters

• Chemical name: 2-Ethoxy-3-isopropylbenzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one
• Formula: C15 H16 N2 O2 S
• Calculated formula: C15 H16 N2 O2 S
• Title of publication: 2-Ethoxy-3-isopropylbenzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one
• Authors of publication: Sheng-Zhen Xu; Min-Hui Cao; Yang-Gen Hu; Ming-Wu Ding; Wen-Jing Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2789 - o2790
• a: 13.393 ± 0.0016 Å
• b: 6.8922 ± 0.0008 Å
• c: 15.497 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1430.5 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes