Information card for entry 1548669

Structure parameters

• Chemical name: Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate
• Formula: C15 H16 N4 O3 S
• Calculated formula: C15 H16 N4 O3 S
• SMILES: c1(nccs1)NC(=O)C(=N\Nc1ccc(cc1)C)/C(=O)OCC
• Title of publication: Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate
• Authors of publication: El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x171852
• a: 5.6487 ± 0.0003 Å
• b: 16.7479 ± 0.0011 Å
• c: 16.9726 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1605.67 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes