Information card for entry 2311225

Structure parameters

• Chemical name: Methyl 2-((2<i>Z</i>,5<i>Z</i>)-4-oxo-3-phenyl-2-{2-[(1<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ylidene}-1,3-thiazolidin-5-ylidene)acetate
• Formula: C22 H19 N3 O3 S
• Calculated formula: C22 H19 N3 O3 S
• SMILES: S1C(=C\C(=O)OC)/C(=O)N(/C1=N/N=C1\CCCc2ccccc12)c1ccccc1
• Title of publication: Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-yl-idene}-1,3-thia-zolidin-5-yl-idene)acetate.
• Authors of publication: Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 4
• Pages of publication: o436 - 7
• a: 9.7078 ± 0.0006 Å
• b: 9.7134 ± 0.0006 Å
• c: 11.1061 ± 0.0007 Å
• α: 67.981 ± 0.0009°
• β: 88.84 ± 0.0009°
• γ: 85.984 ± 0.0009°
• Cell volume: 968.47 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No