Information card for entry 2235950

Structure parameters

• Chemical name: 4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>- 1-benzothieno[2,3-<i>d</i>]pyrimidin-3-amine
• Formula: C12 H16 N4 S
• Calculated formula: C12 H16.001 N4 S
• Title of publication: 4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-1-benzothieno[2,3-<i>d</i>]pyrimidin-3-amine
• Authors of publication: Kalashetti, Mallikarjun B.; Fathima, Nikhath; Khan, Ashraf Y.; Begum, Noor Shahina; Khazi, I. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2468
• a: 6.7514 ± 0.0005 Å
• b: 8.7139 ± 0.0006 Å
• c: 11.8309 ± 0.0009 Å
• α: 97.221 ± 0.004°
• β: 102.82 ± 0.004°
• γ: 112.482 ± 0.003°
• Cell volume: 609.73 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes