Information card for entry 2223742

Structure parameters

• Chemical name: 2-(4-Chloro-3-nitrophenyl)-4-(4-chlorophenyl)-1,3-thiazole
• Formula: C15 H8 Cl2 N2 O2 S
• Calculated formula: C15 H8 Cl2 N2 O2 S
• SMILES: s1c(nc(c2ccc(Cl)cc2)c1)c1cc(N(=O)=O)c(Cl)cc1
• Title of publication: 2-(4-Chloro-3-nitrophenyl)-4-(4-chlorophenyl)-1,3-thiazole
• Authors of publication: Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2611 - o2612
• a: 7.4379 ± 0.0019 Å
• b: 12.305 ± 0.003 Å
• c: 16.808 ± 0.004 Å
• α: 88.596 ± 0.005°
• β: 84.131 ± 0.004°
• γ: 76.721 ± 0.005°
• Cell volume: 1489.3 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.1229
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No