Information card for entry 2237634

Structure parameters

• Chemical name: 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole
• Formula: C24 H17 Cl F N3 S
• Calculated formula: C24 H17 Cl F N3 S
• SMILES: Clc1ccc(C2=NN(c3scc(n3)c3ccccc3)C(C2)c2ccc(cc2)F)cc1
• Title of publication: 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole
• Authors of publication: Abdel-Wahab, Bakr F.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o576
• a: 11.136 ± 0.0009 Å
• b: 16.4129 ± 0.0016 Å
• c: 11.6066 ± 0.0007 Å
• α: 90°
• β: 98.17 ± 0.007°
• γ: 90°
• Cell volume: 2099.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.1061
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes