Information card for entry 2012924

Structure parameters

• Chemical name: Ethyl 5-{2-[2-(methylamino)phenylimino]-2-phenylethylidene}- 4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
• Formula: C26 H23 N5 O4 S
• Calculated formula: C26 H23 N5 O4 S
• SMILES: S1C(N(N=C1C(=O)OCC)c1ccc(N(=O)=O)cc1)=C/C(=N/c1ccccc1NC)c1ccccc1
• Title of publication: Ethyl 5-[2-(2-aminophénylimino)-2-phényléthylidène]-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate et éthyl 5-{2-[2-(méthylamino)phénylimino]-2-phényléthylidène}-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
• Authors of publication: El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o585 - o588
• a: 9.7619 ± 0.0002 Å
• b: 10.7465 ± 0.0003 Å
• c: 12.1924 ± 0.0002 Å
• α: 87.137 ± 0.002°
• β: 83.151 ± 0.002°
• γ: 75.469 ± 0.001°
• Cell volume: 1229.04 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes