Information card for entry 2021340

Structure parameters

• Chemical name: (2<i>Z</i>,5<i>Z</i>)-5-[(Dimethylamino)methylidene]-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: C16 H24 N4 O S
• Calculated formula: C16 H24 N4 O S
• SMILES: S1/C(=N\N=C2[C@@]3(CC[C@H](C2)C3(C)C)C)NC(=O)/C1=C/N(C)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: 11.4988 ± 0.0008 Å
• b: 13.5379 ± 0.0011 Å
• c: 22.3107 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3473.1 ± 0.4 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: 0.0516
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes