Information card for entry 2236653

Structure parameters

• Chemical name: Ethyl 2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazin-1-ylidene]- 3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate
• Formula: C16 H19 N3 O4 S
• Calculated formula: C16 H19 N3 O4 S
• SMILES: S1C(N(C(=C1C(=O)OCC)C)C)=NN=Cc1cc(OC)c(O)cc1
• Title of publication: Ethyl 2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazin-1-ylidene]-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate
• Authors of publication: Öztürk Yildirim, Sema; Butcher, Ray J.; Köysal, Yavuz; Kantar, Esen Nur; Belder, Ayşe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3213 - o3214
• a: 6.8957 ± 0.0003 Å
• b: 10.2716 ± 0.0005 Å
• c: 12.7297 ± 0.0006 Å
• α: 74.843 ± 0.004°
• β: 87.579 ± 0.004°
• γ: 73.304 ± 0.004°
• Cell volume: 833.06 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0364
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes