Information card for entry 2021339

Structure parameters

• Chemical name: (<i>Z</i>)-3-Methyl-2-{(<i>E</i>)-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one
• Formula: C14 H21 N3 O S
• Calculated formula: C14 H21 N3 O S
• SMILES: [C@]12(/C(C[C@@H](CC1)C2(C)C)=N/N=C1\SCC(=O)N1C)C
• Title of publication: New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies
• Authors of publication: N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 7.1606 ± 0.0004 Å
• b: 7.2405 ± 0.0003 Å
• c: 28.2842 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1466.43 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes