Information card for entry 2239134

Structure parameters

• Chemical name: Ethyl 2-[2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)hydrazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate dimethylformamide monosolvate
• Formula: C30 H37 N5 O3 S
• Calculated formula: C30 H37 N5 O3 S
• SMILES: O=CN(C)C.CCOC(=O)c1sc(nc1C)N/N=C1\[C@H]2CCC[C@@H]1[C@@H](N[C@@H]2c1ccccc1)c1ccccc1
• Title of publication: Ethyl 2-[2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)hydrazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate dimethylformamide monosolvate
• Authors of publication: Jothivel, S.; Kabilan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o68 - o69
• a: 12.7 ± 0.005 Å
• b: 19.427 ± 0.005 Å
• c: 13.203 ± 0.005 Å
• α: 90°
• β: 115.249 ± 0.005°
• γ: 90°
• Cell volume: 2946.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes