Information card for entry 2311460

Structure parameters

• Chemical name: (<i>Z</i>)-2-[(<i>Z</i>)-3-Methyl-2-({(<i>E</i>)-1-[(<i>R</i>*)-4-methylcyclohex-3-en-1-yl]ethylidene}hydrazinylidene)-4-oxothiazolidin-5-ylidene]acetate
• Formula: C16 H21 N3 O3 S
• Calculated formula: C16 H21 N3 O3 S
• SMILES: S1C(=C\C(=O)OC)/C(=O)N(/C1=N/N=C(/C1CC=C(CC1)C)C)C
• Title of publication: Crystal structure of methyl (<i>Z</i>)-2-[(<i>Z</i>)-3-methyl-2-({(<i>E</i>)-1-[(<i>R</i>*)-4-methyl-cyclo-hex-3-en-1-yl]ethyl-idene}hydrazinyl-idene)-4-oxo-thia-zolidin-5-yl-idene]acetate.
• Authors of publication: Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1626 - 1629
• a: 9.0982 ± 0.0002 Å
• b: 9.9556 ± 0.0003 Å
• c: 10.5071 ± 0.0003 Å
• α: 66.772 ± 0.001°
• β: 74.572 ± 0.001°
• γ: 77.706 ± 0.001°
• Cell volume: 836.76 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No