Information card for entry 2012923

Structure parameters

• Chemical name: Ethyl 5-[2-(2-aminophenylimino)-2-phenylethylidene]- 4-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
• Formula: C25 H21 Cl N4 O2 S
• Calculated formula: C25 H21 Cl N4 O2 S
• SMILES: Clc1ccc(N2N=C(SC/2=C\C(=N\c2ccccc2N)c2ccccc2)C(=O)OCC)cc1
• 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: 9.9826 ± 0.0001 Å
• b: 9.504 ± 0.0002 Å
• c: 25.079 ± 0.001 Å
• α: 90°
• β: 90.667 ± 0.005°
• γ: 90°
• Cell volume: 2379.2 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes