Information card for entry 2235689

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-5-(4,5-dihydro-1<i>H</i>-imidazol- 2-yl)thieno[2,3-<i>b</i>]pyridin-4-amine
• Formula: C16 H13 Cl N4 S
• Calculated formula: C16 H13 Cl N4 S
• Title of publication: <i>N</i>-(4-Chlorophenyl)-5-(4,5-dihydro-1<i>H</i>-imidazol-2-yl)thieno[2,3-<i>b</i>]pyridin-4-amine
• Authors of publication: Bernardino, Alice M. R.; Pinheiro, Luiz C. S.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2135 - o2136
• a: 17.784 ± 0.003 Å
• b: 6.2264 ± 0.0004 Å
• c: 13.6226 ± 0.0018 Å
• α: 90°
• β: 102.7 ± 0.004°
• γ: 90°
• Cell volume: 1471.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.201
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes