Information card for entry 1577494

Structure parameters

• Common name: 5-(4-Chlorophenyl)-3-(4-methoxyphenyl)isothiazole
• Chemical name: 5-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1,2-thiazole
• Formula: C16 H12 Cl N O S
• Calculated formula: C16 H12 Cl N O S
• Title of publication: 5-(4-Chlorophenyl)-3-(4-methoxyphenyl)isothiazole
• Authors of publication: Chakravarthy, A. S. Jeevan; Kavitha, H. D.; Sreenatha, N. R.
• Journal of publication: IUCrData
• Year of publication: 2026
• Journal volume: 11
• Journal issue: 10
• a: 32.054 ± 0.003 Å
• b: 7.2423 ± 0.0007 Å
• c: 6.0942 ± 0.0005 Å
• α: 90°
• β: 93.607 ± 0.003°
• γ: 90°
• Cell volume: 1411.9 ± 0.2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No