Information card for entry 8101747

Structure parameters

• Chemical name: 3-(4-chlorophenyl)-2-[(4-nitro phenyl)imino]-1,3-thiazolan-4-one
• Formula: C15 H10 Cl N3 O3 S
• Calculated formula: C15 H10 Cl N3 O3 S
• SMILES: S1C(=N\c2ccc(N(=O)=O)cc2)/N(C(=O)C1)c1ccc(Cl)cc1
• Title of publication: Crystal structure of 3-(4-chlorophenyl)-2-[(4-nitro-phenyl)imino]- 1,3-thiazolan-4-one, C~15~H~10~ClN~3~O~3~S
• Authors of publication: F. Matloubi Moghaddam; L. Hojabri
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 205 - 206
• a: 11.981 ± 0.002 Å
• b: 14.89 ± 0.004 Å
• c: 17.239 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3075.4 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No