Information card for entry 2223662

Structure parameters

• Chemical name: (3,5-Dimethylpyrazol-1-yl)[5-(3,5-dimethylpyrazol-1-ylcarbonyl)-2- thienyl]methanone
• Formula: C16 H16 N4 O2 S
• Calculated formula: C16 H16 N4 O2 S
• Title of publication: (3,5-Dimethylpyrazol-1-yl)[5-(3,5-dimethylpyrazol-1-ylcarbonyl)-2-thienyl]methanone
• Authors of publication: Guzei, Ilia A.; Spencer, Lara C.; Tshivashe, Mmboneni G.; Darkwa, James
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2743
• a: 15.615 ± 0.003 Å
• b: 6.7153 ± 0.0016 Å
• c: 16.803 ± 0.004 Å
• α: 90°
• β: 114.452 ± 0.004°
• γ: 90°
• Cell volume: 1603.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes