Information card for entry 2203928

Structure parameters

• Formula: C19 H15 F N4 O S
• Calculated formula: C19 H15 F N4 O S
• SMILES: S1CCN(c2ccccc2)\C1=C(/n1ncnc1)C(=O)c1ccc(F)cc1
• Title of publication: 1-(4-Fluorophenyl)-2-(3-phenylthiazolidin-2-ylidene)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone
• Authors of publication: Liangzhong Xu; Chongyi Zhu; Guanping Yu; Fangfang Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1180 - o1181
• a: 9.3895 ± 0.0019 Å
• b: 9.6613 ± 0.0019 Å
• c: 10.929 ± 0.002 Å
• α: 111.53 ± 0.03°
• β: 100.46 ± 0.03°
• γ: 102.08 ± 0.03°
• Cell volume: 864.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes