Information card for entry 1550588

Structure parameters

• Chemical name: 5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole
• Formula: C23 H17 Cl F N5 O S
• Calculated formula: C23 H17 Cl F N5 O S
• SMILES: c1(ccc(cc1)C1CC(c2ccco2)=NN1c1nc(c(/N=N/c2ccc(cc2)Cl)s1)C)F
• Title of publication: 5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-methylthiazole
• Authors of publication: El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: x190211
• a: 5.2879 ± 0.0003 Å
• b: 26.3742 ± 0.001 Å
• c: 15.7872 ± 0.0007 Å
• α: 90°
• β: 98.293 ± 0.004°
• γ: 90°
• Cell volume: 2178.73 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes