Information card for entry 2233391

Structure parameters

• Chemical name: 3-Chloro-4-(4-chlorophenoxy)-<i>N</i>-[(<i>Z</i>)-(5-nitrothiophen-2- yl)methylidene]aniline
• Formula: C17 H10 Cl2 N2 O3 S
• Calculated formula: C17 H10 Cl2 N2 O3 S
• SMILES: c1(ccc(cc1)Oc1ccc(cc1Cl)/N=C/c1ccc(N(=O)=O)s1)Cl
• Title of publication: 3-Chloro-4-(4-chlorophenoxy)-<i>N</i>-[(<i>Z</i>)-(5-nitrothiophen-2-yl)methylidene]aniline
• Authors of publication: Özdemir Tarı, Gonca; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o415
• a: 16.3698 ± 0.0009 Å
• b: 6.7787 ± 0.0002 Å
• c: 15.9609 ± 0.0009 Å
• α: 90°
• β: 105.284 ± 0.004°
• γ: 90°
• Cell volume: 1708.47 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1235
• 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: Yes